---
_id: '61523'
abstract:
- lang: eng
  text: Abstract</jats:title><jats:p>Metasurface holography offers a powerful approach
    for manipulating wavefronts at the nano and micro scale. Extensive research has
    been conducted to enhance the multiplexing capacity for diverse wavefronts. However,
    the independence of multiplexed channels is fundamentally restricted in techniques
    using single‐layer metasurfaces, resulting in unavoidable crosstalk and the need
    for post‐filtering of the output wavefronts. Here, a universal wavefront multiplexing
    concept is presented based on non‐injective transformation. By employing joint
    optimization on two metasurfaces, different channels can be independently designed
    without any constraints on the output wavefronts. To validate this approach, ultra‐compact
    orbital angular momentum (OAM) sorters are designed. In these experiments, the
    output beams from different channels can be independently mapped to 2D positions
    with high fineness. In another application of wavefront‐multiplexed holography,
    10‐channel multiplexing is experimentally achieved with minimal crosstalk and
    without the need for post‐processing. These results demonstrate the independence
    between channels enabled by the non‐injective transformation in the method. The
    precise wavefront control and high multiplexing capacity underscore its potential
    for scalable wavefront manipulation devices.
article_number: e11823
article_type: original
author:
- first_name: Xiao
  full_name: Jin, Xiao
  last_name: Jin
- first_name: Thomas
  full_name: Zentgraf, Thomas
  id: '30525'
  last_name: Zentgraf
  orcid: 0000-0002-8662-1101
citation:
  ama: Jin X, Zentgraf T. Independent Wavefront Multiplexing with Metasurfaces via
    Non‐Injective Transformation. <i>Advanced Materials</i>. 2026;38. doi:<a href="https://doi.org/10.1002/adma.202511823">10.1002/adma.202511823</a>
  apa: Jin, X., &#38; Zentgraf, T. (2026). Independent Wavefront Multiplexing with
    Metasurfaces via Non‐Injective Transformation. <i>Advanced Materials</i>, <i>38</i>,
    Article e11823. <a href="https://doi.org/10.1002/adma.202511823">https://doi.org/10.1002/adma.202511823</a>
  bibtex: '@article{Jin_Zentgraf_2026, title={Independent Wavefront Multiplexing with
    Metasurfaces via Non‐Injective Transformation}, volume={38}, DOI={<a href="https://doi.org/10.1002/adma.202511823">10.1002/adma.202511823</a>},
    number={e11823}, journal={Advanced Materials}, publisher={Wiley}, author={Jin,
    Xiao and Zentgraf, Thomas}, year={2026} }'
  chicago: Jin, Xiao, and Thomas Zentgraf. “Independent Wavefront Multiplexing with
    Metasurfaces via Non‐Injective Transformation.” <i>Advanced Materials</i> 38 (2026).
    <a href="https://doi.org/10.1002/adma.202511823">https://doi.org/10.1002/adma.202511823</a>.
  ieee: 'X. Jin and T. Zentgraf, “Independent Wavefront Multiplexing with Metasurfaces
    via Non‐Injective Transformation,” <i>Advanced Materials</i>, vol. 38, Art. no.
    e11823, 2026, doi: <a href="https://doi.org/10.1002/adma.202511823">10.1002/adma.202511823</a>.'
  mla: Jin, Xiao, and Thomas Zentgraf. “Independent Wavefront Multiplexing with Metasurfaces
    via Non‐Injective Transformation.” <i>Advanced Materials</i>, vol. 38, e11823,
    Wiley, 2026, doi:<a href="https://doi.org/10.1002/adma.202511823">10.1002/adma.202511823</a>.
  short: X. Jin, T. Zentgraf, Advanced Materials 38 (2026).
date_created: 2025-10-06T05:42:21Z
date_updated: 2026-03-10T08:32:37Z
department:
- _id: '15'
- _id: '230'
- _id: '289'
- _id: '623'
doi: 10.1002/adma.202511823
intvolume: '        38'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://advanced.onlinelibrary.wiley.com/doi/10.1002/adma.202511823
oa: '1'
project:
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
- _id: '54'
  name: TRR 142 - Project Area A
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '65'
  name: 'TRR 142; TP A08: Nichtlineare Kopplung von Zwischenschicht-Exzitonen in van
    der Waals-Heterostrukturen an plasmonische und dielektrische Nanokavitäten'
- _id: '170'
  name: 'TRR 142; TP B09: Effiziente Erzeugung mit maßgeschneiderter optischer Phaselage
    der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen'
publication: Advanced Materials
publication_identifier:
  issn:
  - 0935-9648
  - 1521-4095
publication_status: published
publisher: Wiley
quality_controlled: '1'
status: public
title: Independent Wavefront Multiplexing with Metasurfaces via Non‐Injective Transformation
type: journal_article
user_id: '30525'
volume: 38
year: '2026'
...
---
_id: '58606'
author:
- first_name: Albert
  full_name: Mathew, Albert
  last_name: Mathew
- first_name: Rebecca
  full_name: Aschwanden, Rebecca
  last_name: Aschwanden
- first_name: Aditya
  full_name: Tripathi, Aditya
  last_name: Tripathi
- first_name: Piyush
  full_name: Jangid, Piyush
  last_name: Jangid
- first_name: Basudeb
  full_name: Sain, Basudeb
  last_name: Sain
- first_name: Thomas
  full_name: Zentgraf, Thomas
  id: '30525'
  last_name: Zentgraf
  orcid: 0000-0002-8662-1101
- first_name: Sergey
  full_name: Kruk, Sergey
  last_name: Kruk
citation:
  ama: Mathew A, Aschwanden R, Tripathi A, et al. Nonreciprocal Metasurfaces with
    Epsilon-Near-Zero Materials. <i>Nano Letters</i>. Published online 2025. doi:<a
    href="https://doi.org/10.1021/acs.nanolett.4c06188">10.1021/acs.nanolett.4c06188</a>
  apa: Mathew, A., Aschwanden, R., Tripathi, A., Jangid, P., Sain, B., Zentgraf, T.,
    &#38; Kruk, S. (2025). Nonreciprocal Metasurfaces with Epsilon-Near-Zero Materials.
    <i>Nano Letters</i>. <a href="https://doi.org/10.1021/acs.nanolett.4c06188">https://doi.org/10.1021/acs.nanolett.4c06188</a>
  bibtex: '@article{Mathew_Aschwanden_Tripathi_Jangid_Sain_Zentgraf_Kruk_2025, title={Nonreciprocal
    Metasurfaces with Epsilon-Near-Zero Materials}, DOI={<a href="https://doi.org/10.1021/acs.nanolett.4c06188">10.1021/acs.nanolett.4c06188</a>},
    journal={Nano Letters}, publisher={American Chemical Society (ACS)}, author={Mathew,
    Albert and Aschwanden, Rebecca and Tripathi, Aditya and Jangid, Piyush and Sain,
    Basudeb and Zentgraf, Thomas and Kruk, Sergey}, year={2025} }'
  chicago: Mathew, Albert, Rebecca Aschwanden, Aditya Tripathi, Piyush Jangid, Basudeb
    Sain, Thomas Zentgraf, and Sergey Kruk. “Nonreciprocal Metasurfaces with Epsilon-Near-Zero
    Materials.” <i>Nano Letters</i>, 2025. <a href="https://doi.org/10.1021/acs.nanolett.4c06188">https://doi.org/10.1021/acs.nanolett.4c06188</a>.
  ieee: 'A. Mathew <i>et al.</i>, “Nonreciprocal Metasurfaces with Epsilon-Near-Zero
    Materials,” <i>Nano Letters</i>, 2025, doi: <a href="https://doi.org/10.1021/acs.nanolett.4c06188">10.1021/acs.nanolett.4c06188</a>.'
  mla: Mathew, Albert, et al. “Nonreciprocal Metasurfaces with Epsilon-Near-Zero Materials.”
    <i>Nano Letters</i>, American Chemical Society (ACS), 2025, doi:<a href="https://doi.org/10.1021/acs.nanolett.4c06188">10.1021/acs.nanolett.4c06188</a>.
  short: A. Mathew, R. Aschwanden, A. Tripathi, P. Jangid, B. Sain, T. Zentgraf, S.
    Kruk, Nano Letters (2025).
date_created: 2025-02-12T12:54:41Z
date_updated: 2025-02-12T13:02:21Z
department:
- _id: '15'
- _id: '230'
- _id: '289'
- _id: '623'
doi: 10.1021/acs.nanolett.4c06188
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/abs/2501.11920
oa: '1'
project:
- _id: '53'
  grant_number: '231447078'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '170'
  grant_number: '231447078'
  name: 'TRR 142 - B09: TRR 142 - Effiziente Erzeugung mit maßgeschneiderter optischer
    Phaselage der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen
    (B09*)'
- _id: '65'
  grant_number: '231447078'
  name: 'TRR 142 - A08: TRR 142 - Nichtlineare Kopplung von Zwischenschicht-Exzitonen
    in van der Waals-Heterostrukturen an plasmonische und dielektrische Nanokavitäten
    (A08)'
publication: Nano Letters
publication_identifier:
  issn:
  - 1530-6984
  - 1530-6992
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Nonreciprocal Metasurfaces with Epsilon-Near-Zero Materials
type: journal_article
user_id: '30525'
year: '2025'
...
---
_id: '60565'
article_number: '104103'
author:
- first_name: Adriana
  full_name: Bocchini, Adriana
  id: '58349'
  last_name: Bocchini
  orcid: 0000-0002-2134-3075
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Bocchini A, Gerstmann U, Schmidt WG. Microscopic origin of gray tracks in &#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:msub&#62;&#60;mml:mi&#62;KTiOPO&#60;/mml:mi&#62;&#60;mml:mn&#62;4&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;.
    <i>Physical Review B</i>. 2025;111(10). doi:<a href="https://doi.org/10.1103/physrevb.111.104103">10.1103/physrevb.111.104103</a>
  apa: Bocchini, A., Gerstmann, U., &#38; Schmidt, W. G. (2025). Microscopic origin
    of gray tracks in &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:msub&#62;&#60;mml:mi&#62;KTiOPO&#60;/mml:mi&#62;&#60;mml:mn&#62;4&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;.
    <i>Physical Review B</i>, <i>111</i>(10), Article 104103. <a href="https://doi.org/10.1103/physrevb.111.104103">https://doi.org/10.1103/physrevb.111.104103</a>
  bibtex: '@article{Bocchini_Gerstmann_Schmidt_2025, title={Microscopic origin of
    gray tracks in &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:msub&#62;&#60;mml:mi&#62;KTiOPO&#60;/mml:mi&#62;&#60;mml:mn&#62;4&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;},
    volume={111}, DOI={<a href="https://doi.org/10.1103/physrevb.111.104103">10.1103/physrevb.111.104103</a>},
    number={10104103}, journal={Physical Review B}, publisher={American Physical Society
    (APS)}, author={Bocchini, Adriana and Gerstmann, Uwe and Schmidt, Wolf Gero},
    year={2025} }'
  chicago: Bocchini, Adriana, Uwe Gerstmann, and Wolf Gero Schmidt. “Microscopic Origin
    of Gray Tracks in &#60;mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"&#62;&#60;mml:Msub&#62;&#60;mml:Mi&#62;KTiOPO&#60;/Mml:Mi&#62;&#60;mml:Mn&#62;4&#60;/Mml:Mn&#62;&#60;/Mml:Msub&#62;&#60;/Mml:Math&#62;.”
    <i>Physical Review B</i> 111, no. 10 (2025). <a href="https://doi.org/10.1103/physrevb.111.104103">https://doi.org/10.1103/physrevb.111.104103</a>.
  ieee: 'A. Bocchini, U. Gerstmann, and W. G. Schmidt, “Microscopic origin of gray
    tracks in &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:msub&#62;&#60;mml:mi&#62;KTiOPO&#60;/mml:mi&#62;&#60;mml:mn&#62;4&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;,”
    <i>Physical Review B</i>, vol. 111, no. 10, Art. no. 104103, 2025, doi: <a href="https://doi.org/10.1103/physrevb.111.104103">10.1103/physrevb.111.104103</a>.'
  mla: Bocchini, Adriana, et al. “Microscopic Origin of Gray Tracks in &#60;mml:Math
    Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"&#62;&#60;mml:Msub&#62;&#60;mml:Mi&#62;KTiOPO&#60;/Mml:Mi&#62;&#60;mml:Mn&#62;4&#60;/Mml:Mn&#62;&#60;/Mml:Msub&#62;&#60;/Mml:Math&#62;.”
    <i>Physical Review B</i>, vol. 111, no. 10, 104103, American Physical Society
    (APS), 2025, doi:<a href="https://doi.org/10.1103/physrevb.111.104103">10.1103/physrevb.111.104103</a>.
  short: A. Bocchini, U. Gerstmann, W.G. Schmidt, Physical Review B 111 (2025).
date_created: 2025-07-09T08:58:32Z
date_updated: 2025-07-09T09:30:31Z
department:
- _id: '15'
- _id: '295'
- _id: '790'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '170'
- _id: '27'
doi: 10.1103/physrevb.111.104103
intvolume: '       111'
issue: '10'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
  grant_number: '231447078'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '168'
  grant_number: '231447078'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '166'
  name: 'TRR 142 - A11: TRR 142 - Subproject A11'
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Microscopic origin of gray tracks in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:msub><mml:mi>KTiOPO</mml:mi><mml:mn>4</mml:mn></mml:msub></mml:math>
type: journal_article
user_id: '16199'
volume: 111
year: '2025'
...
---
_id: '58642'
abstract:
- lang: eng
  text: We present a cost-effective self-assembly method to fabricate low-density
    dimer NPs in an NPoM architecture, using the M13 phage as a spacer layer. This
    will enable the development of dynamic plasmonic devices and advanced sensing
    applications.
article_type: original
author:
- first_name: Vasanthan
  full_name: Devaraj, Vasanthan
  id: '103814'
  last_name: Devaraj
- first_name: Isaac Azahel
  full_name: Ruiz Alvarado, Isaac Azahel
  id: '79462'
  last_name: Ruiz Alvarado
  orcid: 0000-0002-4710-1170
- first_name: Jong-Min
  full_name: Lee, Jong-Min
  last_name: Lee
- first_name: Jin-Woo
  full_name: Oh, Jin-Woo
  last_name: Oh
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Thomas
  full_name: Zentgraf, Thomas
  id: '30525'
  last_name: Zentgraf
  orcid: 0000-0002-8662-1101
citation:
  ama: Devaraj V, Ruiz Alvarado IA, Lee J-M, et al. Self-assembly of isolated plasmonic
    dimers with sub-5 nm gaps on a metallic mirror. <i>Nanoscale Horizons</i>. 2025;10:537-548.
    doi:<a href="https://doi.org/10.1039/d4nh00546e">10.1039/d4nh00546e</a>
  apa: Devaraj, V., Ruiz Alvarado, I. A., Lee, J.-M., Oh, J.-W., Gerstmann, U., Schmidt,
    W. G., &#38; Zentgraf, T. (2025). Self-assembly of isolated plasmonic dimers with
    sub-5 nm gaps on a metallic mirror. <i>Nanoscale Horizons</i>, <i>10</i>, 537–548.
    <a href="https://doi.org/10.1039/d4nh00546e">https://doi.org/10.1039/d4nh00546e</a>
  bibtex: '@article{Devaraj_Ruiz Alvarado_Lee_Oh_Gerstmann_Schmidt_Zentgraf_2025,
    title={Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic
    mirror}, volume={10}, DOI={<a href="https://doi.org/10.1039/d4nh00546e">10.1039/d4nh00546e</a>},
    journal={Nanoscale Horizons}, publisher={Royal Society of Chemistry (RSC)}, author={Devaraj,
    Vasanthan and Ruiz Alvarado, Isaac Azahel and Lee, Jong-Min and Oh, Jin-Woo and
    Gerstmann, Uwe and Schmidt, Wolf Gero and Zentgraf, Thomas}, year={2025}, pages={537–548}
    }'
  chicago: 'Devaraj, Vasanthan, Isaac Azahel Ruiz Alvarado, Jong-Min Lee, Jin-Woo
    Oh, Uwe Gerstmann, Wolf Gero Schmidt, and Thomas Zentgraf. “Self-Assembly of Isolated
    Plasmonic Dimers with Sub-5 Nm Gaps on a Metallic Mirror.” <i>Nanoscale Horizons</i>
    10 (2025): 537–48. <a href="https://doi.org/10.1039/d4nh00546e">https://doi.org/10.1039/d4nh00546e</a>.'
  ieee: 'V. Devaraj <i>et al.</i>, “Self-assembly of isolated plasmonic dimers with
    sub-5 nm gaps on a metallic mirror,” <i>Nanoscale Horizons</i>, vol. 10, pp. 537–548,
    2025, doi: <a href="https://doi.org/10.1039/d4nh00546e">10.1039/d4nh00546e</a>.'
  mla: Devaraj, Vasanthan, et al. “Self-Assembly of Isolated Plasmonic Dimers with
    Sub-5 Nm Gaps on a Metallic Mirror.” <i>Nanoscale Horizons</i>, vol. 10, Royal
    Society of Chemistry (RSC), 2025, pp. 537–48, doi:<a href="https://doi.org/10.1039/d4nh00546e">10.1039/d4nh00546e</a>.
  short: V. Devaraj, I.A. Ruiz Alvarado, J.-M. Lee, J.-W. Oh, U. Gerstmann, W.G. Schmidt,
    T. Zentgraf, Nanoscale Horizons 10 (2025) 537–548.
date_created: 2025-02-14T08:13:10Z
date_updated: 2025-07-09T14:04:39Z
department:
- _id: '15'
- _id: '230'
- _id: '289'
- _id: '623'
- _id: '35'
- _id: '295'
- _id: '170'
- _id: '429'
- _id: '27'
doi: 10.1039/d4nh00546e
intvolume: '        10'
language:
- iso: eng
page: 537-548
project:
- _id: '53'
  grant_number: '231447078'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '168'
  grant_number: '231447078'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '445'
  grant_number: '367360193'
  name: Hochleistungsrechner Noctua in Paderborn
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Nanoscale Horizons
publication_identifier:
  issn:
  - 2055-6756
  - 2055-6764
publication_status: published
publisher: Royal Society of Chemistry (RSC)
quality_controlled: '1'
status: public
title: Self-assembly of isolated plasmonic dimers with sub-5 nm gaps on a metallic
  mirror
type: journal_article
user_id: '16199'
volume: 10
year: '2025'
...
---
_id: '61351'
abstract:
- lang: eng
  text: <jats:title>Abstract</jats:title><jats:p>The interaction of water molecules
    with semiconductor surfaces is relevant to various optoelectronic phenomena and
    physicochemical processes. Despite advances in fundamental understanding of water‐exposed
    surfaces, the detailed time‐ and energy‐resolved behavior of excited electrons
    remains largely unexplored. Here, the effects of water exposure on the near‐surface
    electron dynamics of phosphorus‐terminated p(2×2)/c(4×2)‐reconstructed indium
    phosphide (100) (P‐rich InP) are studied experimentally and matched to theoretical
    calculations. The P‐rich InP surface, consisting of H‐passivated P‐dimers, serves
    as a model for other P‐containing III‐V semiconductors such as gallium phosphide
    (GaP) or aluminum indium phosphide (AlInP). Electron dynamics near the surface
    are probed with femtosecond resolution using time‐resolved two‐photon photoemission
    (tr‐2PPE), a pump‐probe spectroscopic technique. Pulsed water exposure preserves
    electronic states and significantly increases lifetimes at the conduction band
    minimum (CBM). Density‐functional theory (DFT) calculations attribute these findings
    to suppression of surface vibrational modes in the top P‐layer by water exposure,
    reducing electronic transition probabilities of near‐band‐gap surface states.
    The results suggest that many near‐surface state lifetimes reported in ultra‐high
    vacuum may change significantly upon electrolyte exposure. These states may thus
    contribute more strongly to surface reactions than traditionally assumed. Demonstrating
    this effect for the technologically relevant P‐rich InP surface opens new opportunities
    in this underexplored area of surface electrochemistry.</jats:p>
article_number: e00463
author:
- first_name: Jonathan
  full_name: Diederich, Jonathan
  last_name: Diederich
- first_name: Agnieszka
  full_name: Paszuk, Agnieszka
  last_name: Paszuk
- first_name: Isaac Azahel
  full_name: Ruiz Alvarado, Isaac Azahel
  id: '79462'
  last_name: Ruiz Alvarado
  orcid: 0000-0002-4710-1170
- first_name: Marvin
  full_name: Krenz, Marvin
  last_name: Krenz
- first_name: Mohammad Amin
  full_name: Zare Pour, Mohammad Amin
  last_name: Zare Pour
- first_name: Diwakar Suresh
  full_name: Babu, Diwakar Suresh
  last_name: Babu
- first_name: Jennifer
  full_name: Velazquez Rojas, Jennifer
  last_name: Velazquez Rojas
- first_name: Christian
  full_name: Höhn, Christian
  last_name: Höhn
- first_name: Yuying
  full_name: Gao, Yuying
  last_name: Gao
- first_name: Klaus
  full_name: Schwarzburg, Klaus
  last_name: Schwarzburg
- first_name: David
  full_name: Ostheimer, David
  last_name: Ostheimer
- first_name: Rainer
  full_name: Eichberger, Rainer
  last_name: Eichberger
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Thomas
  full_name: Hannappel, Thomas
  last_name: Hannappel
- first_name: Roel van
  full_name: de Krol, Roel van
  last_name: de Krol
- first_name: Dennis
  full_name: Friedrich, Dennis
  last_name: Friedrich
citation:
  ama: Diederich J, Paszuk A, Ruiz Alvarado IA, et al. Ultrafast Electron Dynamics
    at the Water‐Modified InP(100) Surface. <i>Advanced Materials Interfaces</i>.
    2025;12(16). doi:<a href="https://doi.org/10.1002/admi.202500463">10.1002/admi.202500463</a>
  apa: Diederich, J., Paszuk, A., Ruiz Alvarado, I. A., Krenz, M., Zare Pour, M. A.,
    Babu, D. S., Velazquez Rojas, J., Höhn, C., Gao, Y., Schwarzburg, K., Ostheimer,
    D., Eichberger, R., Schmidt, W. G., Hannappel, T., de Krol, R. van, &#38; Friedrich,
    D. (2025). Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface.
    <i>Advanced Materials Interfaces</i>, <i>12</i>(16), Article e00463. <a href="https://doi.org/10.1002/admi.202500463">https://doi.org/10.1002/admi.202500463</a>
  bibtex: '@article{Diederich_Paszuk_Ruiz Alvarado_Krenz_Zare Pour_Babu_Velazquez
    Rojas_Höhn_Gao_Schwarzburg_et al._2025, title={Ultrafast Electron Dynamics at
    the Water‐Modified InP(100) Surface}, volume={12}, DOI={<a href="https://doi.org/10.1002/admi.202500463">10.1002/admi.202500463</a>},
    number={16e00463}, journal={Advanced Materials Interfaces}, publisher={Wiley},
    author={Diederich, Jonathan and Paszuk, Agnieszka and Ruiz Alvarado, Isaac Azahel
    and Krenz, Marvin and Zare Pour, Mohammad Amin and Babu, Diwakar Suresh and Velazquez
    Rojas, Jennifer and Höhn, Christian and Gao, Yuying and Schwarzburg, Klaus and
    et al.}, year={2025} }'
  chicago: Diederich, Jonathan, Agnieszka Paszuk, Isaac Azahel Ruiz Alvarado, Marvin
    Krenz, Mohammad Amin Zare Pour, Diwakar Suresh Babu, Jennifer Velazquez Rojas,
    et al. “Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface.” <i>Advanced
    Materials Interfaces</i> 12, no. 16 (2025). <a href="https://doi.org/10.1002/admi.202500463">https://doi.org/10.1002/admi.202500463</a>.
  ieee: 'J. Diederich <i>et al.</i>, “Ultrafast Electron Dynamics at the Water‐Modified
    InP(100) Surface,” <i>Advanced Materials Interfaces</i>, vol. 12, no. 16, Art.
    no. e00463, 2025, doi: <a href="https://doi.org/10.1002/admi.202500463">10.1002/admi.202500463</a>.'
  mla: Diederich, Jonathan, et al. “Ultrafast Electron Dynamics at the Water‐Modified
    InP(100) Surface.” <i>Advanced Materials Interfaces</i>, vol. 12, no. 16, e00463,
    Wiley, 2025, doi:<a href="https://doi.org/10.1002/admi.202500463">10.1002/admi.202500463</a>.
  short: J. Diederich, A. Paszuk, I.A. Ruiz Alvarado, M. Krenz, M.A. Zare Pour, D.S.
    Babu, J. Velazquez Rojas, C. Höhn, Y. Gao, K. Schwarzburg, D. Ostheimer, R. Eichberger,
    W.G. Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Advanced Materials Interfaces
    12 (2025).
date_created: 2025-09-18T11:03:16Z
date_updated: 2025-09-18T11:06:59Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
- _id: '429'
doi: 10.1002/admi.202500463
intvolume: '        12'
issue: '16'
language:
- iso: eng
project:
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '168'
  name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat
    (B07*)
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Advanced Materials Interfaces
publication_identifier:
  issn:
  - 2196-7350
  - 2196-7350
publication_status: published
publisher: Wiley
status: public
title: Ultrafast Electron Dynamics at the Water‐Modified InP(100) Surface
type: journal_article
user_id: '16199'
volume: 12
year: '2025'
...
---
_id: '61356'
abstract:
- lang: eng
  text: <jats:p>First-principles calculations reveal how topological defects in semiconducting
    carbon nanotubes trap triplet excitons and enable single-photon emission at telecom
    wavelengths, offering new insights into their potential for photonic devices.</jats:p>
author:
- first_name: Timur
  full_name: Biktagirov, Timur
  id: '65612'
  last_name: Biktagirov
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Biktagirov T, Gerstmann U, Schmidt WG. Topological defects in semiconducting
    carbon nanotubes as triplet exciton traps and single-photon emitters. <i>Nanoscale</i>.
    2025;17(11):6884-6891. doi:<a href="https://doi.org/10.1039/d4nr03904a">10.1039/d4nr03904a</a>
  apa: Biktagirov, T., Gerstmann, U., &#38; Schmidt, W. G. (2025). Topological defects
    in semiconducting carbon nanotubes as triplet exciton traps and single-photon
    emitters. <i>Nanoscale</i>, <i>17</i>(11), 6884–6891. <a href="https://doi.org/10.1039/d4nr03904a">https://doi.org/10.1039/d4nr03904a</a>
  bibtex: '@article{Biktagirov_Gerstmann_Schmidt_2025, title={Topological defects
    in semiconducting carbon nanotubes as triplet exciton traps and single-photon
    emitters}, volume={17}, DOI={<a href="https://doi.org/10.1039/d4nr03904a">10.1039/d4nr03904a</a>},
    number={11}, journal={Nanoscale}, publisher={Royal Society of Chemistry (RSC)},
    author={Biktagirov, Timur and Gerstmann, Uwe and Schmidt, Wolf Gero}, year={2025},
    pages={6884–6891} }'
  chicago: 'Biktagirov, Timur, Uwe Gerstmann, and Wolf Gero Schmidt. “Topological
    Defects in Semiconducting Carbon Nanotubes as Triplet Exciton Traps and Single-Photon
    Emitters.” <i>Nanoscale</i> 17, no. 11 (2025): 6884–91. <a href="https://doi.org/10.1039/d4nr03904a">https://doi.org/10.1039/d4nr03904a</a>.'
  ieee: 'T. Biktagirov, U. Gerstmann, and W. G. Schmidt, “Topological defects in semiconducting
    carbon nanotubes as triplet exciton traps and single-photon emitters,” <i>Nanoscale</i>,
    vol. 17, no. 11, pp. 6884–6891, 2025, doi: <a href="https://doi.org/10.1039/d4nr03904a">10.1039/d4nr03904a</a>.'
  mla: Biktagirov, Timur, et al. “Topological Defects in Semiconducting Carbon Nanotubes
    as Triplet Exciton Traps and Single-Photon Emitters.” <i>Nanoscale</i>, vol. 17,
    no. 11, Royal Society of Chemistry (RSC), 2025, pp. 6884–91, doi:<a href="https://doi.org/10.1039/d4nr03904a">10.1039/d4nr03904a</a>.
  short: T. Biktagirov, U. Gerstmann, W.G. Schmidt, Nanoscale 17 (2025) 6884–6891.
date_created: 2025-09-18T11:23:25Z
date_updated: 2025-09-18T11:26:23Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
- _id: '27'
- _id: '429'
doi: 10.1039/d4nr03904a
intvolume: '        17'
issue: '11'
language:
- iso: eng
page: 6884-6891
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
- _id: '54'
  name: TRR 142 - Project Area A
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '168'
  name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat
    (B07*)
- _id: '166'
  name: TRR 142 - Subproject A11
publication: Nanoscale
publication_identifier:
  issn:
  - 2040-3364
  - 2040-3372
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Topological defects in semiconducting carbon nanotubes as triplet exciton traps
  and single-photon emitters
type: journal_article
user_id: '16199'
volume: 17
year: '2025'
...
---
_id: '60568'
article_number: '122776'
author:
- first_name: Adriana
  full_name: Bocchini, Adriana
  id: '58349'
  last_name: Bocchini
  orcid: 0000-0002-2134-3075
- first_name: S.
  full_name: Kollmann, S.
  last_name: Kollmann
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Guido
  full_name: Grundmeier, Guido
  id: '194'
  last_name: Grundmeier
citation:
  ama: Bocchini A, Kollmann S, Gerstmann U, Schmidt WG, Grundmeier G. Phosphonic acid
    adsorption on &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si23.svg"
    display="inline" id="d1e564"&#62;&#60;mml:mi&#62;α&#60;/mml:mi&#62;&#60;/mml:math&#62;-Bi&#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline"
    id="d1e569"&#62;&#60;mml:msub&#62;&#60;mml:mrow/&#62;&#60;mml:mrow&#62;&#60;mml:mn&#62;2&#60;/mml:mn&#62;&#60;/mml:mrow&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;O&#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline"
    id="d1e577"&#62;&#60;mml:msub&#62;&#60;mml:mrow/&#62;&#60;mml:mrow&#62;&#60;mml:mn&#62;3&#60;/mml:mn&#62;&#60;/mml:mrow&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;
    surfaces. <i>Surface Science</i>. 2025;760. doi:<a href="https://doi.org/10.1016/j.susc.2025.122776">10.1016/j.susc.2025.122776</a>
  apa: Bocchini, A., Kollmann, S., Gerstmann, U., Schmidt, W. G., &#38; Grundmeier,
    G. (2025). Phosphonic acid adsorption on &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"
    altimg="si23.svg" display="inline" id="d1e564"&#62;&#60;mml:mi&#62;α&#60;/mml:mi&#62;&#60;/mml:math&#62;-Bi&#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline"
    id="d1e569"&#62;&#60;mml:msub&#62;&#60;mml:mrow/&#62;&#60;mml:mrow&#62;&#60;mml:mn&#62;2&#60;/mml:mn&#62;&#60;/mml:mrow&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;O&#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline"
    id="d1e577"&#62;&#60;mml:msub&#62;&#60;mml:mrow/&#62;&#60;mml:mrow&#62;&#60;mml:mn&#62;3&#60;/mml:mn&#62;&#60;/mml:mrow&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;
    surfaces. <i>Surface Science</i>, <i>760</i>, Article 122776. <a href="https://doi.org/10.1016/j.susc.2025.122776">https://doi.org/10.1016/j.susc.2025.122776</a>
  bibtex: '@article{Bocchini_Kollmann_Gerstmann_Schmidt_Grundmeier_2025, title={Phosphonic
    acid adsorption on &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"
    altimg="si23.svg" display="inline" id="d1e564"&#62;&#60;mml:mi&#62;α&#60;/mml:mi&#62;&#60;/mml:math&#62;-Bi&#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline"
    id="d1e569"&#62;&#60;mml:msub&#62;&#60;mml:mrow/&#62;&#60;mml:mrow&#62;&#60;mml:mn&#62;2&#60;/mml:mn&#62;&#60;/mml:mrow&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;O&#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline"
    id="d1e577"&#62;&#60;mml:msub&#62;&#60;mml:mrow/&#62;&#60;mml:mrow&#62;&#60;mml:mn&#62;3&#60;/mml:mn&#62;&#60;/mml:mrow&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;
    surfaces}, volume={760}, DOI={<a href="https://doi.org/10.1016/j.susc.2025.122776">10.1016/j.susc.2025.122776</a>},
    number={122776}, journal={Surface Science}, publisher={Elsevier BV}, author={Bocchini,
    Adriana and Kollmann, S. and Gerstmann, Uwe and Schmidt, Wolf Gero and Grundmeier,
    Guido}, year={2025} }'
  chicago: Bocchini, Adriana, S. Kollmann, Uwe Gerstmann, Wolf Gero Schmidt, and Guido
    Grundmeier. “Phosphonic Acid Adsorption on &#60;mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"
    Altimg="si23.Svg" Display="inline" Id="d1e564"&#62;&#60;mml:Mi&#62;α&#60;/Mml:Mi&#62;&#60;/Mml:Math&#62;-Bi&#60;mml:Math
    Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si24.Svg" Display="inline"
    Id="d1e569"&#62;&#60;mml:Msub&#62;&#60;mml:Mrow/&#62;&#60;mml:Mrow&#62;&#60;mml:Mn&#62;2&#60;/Mml:Mn&#62;&#60;/Mml:Mrow&#62;&#60;/Mml:Msub&#62;&#60;/Mml:Math&#62;O&#60;mml:Math
    Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si25.Svg" Display="inline"
    Id="d1e577"&#62;&#60;mml:Msub&#62;&#60;mml:Mrow/&#62;&#60;mml:Mrow&#62;&#60;mml:Mn&#62;3&#60;/Mml:Mn&#62;&#60;/Mml:Mrow&#62;&#60;/Mml:Msub&#62;&#60;/Mml:Math&#62;
    Surfaces.” <i>Surface Science</i> 760 (2025). <a href="https://doi.org/10.1016/j.susc.2025.122776">https://doi.org/10.1016/j.susc.2025.122776</a>.
  ieee: 'A. Bocchini, S. Kollmann, U. Gerstmann, W. G. Schmidt, and G. Grundmeier,
    “Phosphonic acid adsorption on &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"
    altimg="si23.svg" display="inline" id="d1e564"&#62;&#60;mml:mi&#62;α&#60;/mml:mi&#62;&#60;/mml:math&#62;-Bi&#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline"
    id="d1e569"&#62;&#60;mml:msub&#62;&#60;mml:mrow/&#62;&#60;mml:mrow&#62;&#60;mml:mn&#62;2&#60;/mml:mn&#62;&#60;/mml:mrow&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;O&#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline"
    id="d1e577"&#62;&#60;mml:msub&#62;&#60;mml:mrow/&#62;&#60;mml:mrow&#62;&#60;mml:mn&#62;3&#60;/mml:mn&#62;&#60;/mml:mrow&#62;&#60;/mml:msub&#62;&#60;/mml:math&#62;
    surfaces,” <i>Surface Science</i>, vol. 760, Art. no. 122776, 2025, doi: <a href="https://doi.org/10.1016/j.susc.2025.122776">10.1016/j.susc.2025.122776</a>.'
  mla: Bocchini, Adriana, et al. “Phosphonic Acid Adsorption on &#60;mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"
    Altimg="si23.Svg" Display="inline" Id="d1e564"&#62;&#60;mml:Mi&#62;α&#60;/Mml:Mi&#62;&#60;/Mml:Math&#62;-Bi&#60;mml:Math
    Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si24.Svg" Display="inline"
    Id="d1e569"&#62;&#60;mml:Msub&#62;&#60;mml:Mrow/&#62;&#60;mml:Mrow&#62;&#60;mml:Mn&#62;2&#60;/Mml:Mn&#62;&#60;/Mml:Mrow&#62;&#60;/Mml:Msub&#62;&#60;/Mml:Math&#62;O&#60;mml:Math
    Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML" Altimg="si25.Svg" Display="inline"
    Id="d1e577"&#62;&#60;mml:Msub&#62;&#60;mml:Mrow/&#62;&#60;mml:Mrow&#62;&#60;mml:Mn&#62;3&#60;/Mml:Mn&#62;&#60;/Mml:Mrow&#62;&#60;/Mml:Msub&#62;&#60;/Mml:Math&#62;
    Surfaces.” <i>Surface Science</i>, vol. 760, 122776, Elsevier BV, 2025, doi:<a
    href="https://doi.org/10.1016/j.susc.2025.122776">10.1016/j.susc.2025.122776</a>.
  short: A. Bocchini, S. Kollmann, U. Gerstmann, W.G. Schmidt, G. Grundmeier, Surface
    Science 760 (2025).
date_created: 2025-07-09T09:23:04Z
date_updated: 2025-12-05T13:34:10Z
department:
- _id: '15'
- _id: '2'
- _id: '230'
- _id: '295'
- _id: '790'
- _id: '302'
- _id: '429'
- _id: '35'
- _id: '170'
- _id: '27'
doi: 10.1016/j.susc.2025.122776
intvolume: '       760'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.1016/j.susc.2025.122776
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '168'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '166'
  name: 'TRR 142 - A11: TRR 142 - Subproject A11'
publication: Surface Science
publication_identifier:
  issn:
  - 0039-6028
publication_status: published
publisher: Elsevier BV
status: public
title: Phosphonic acid adsorption on <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"
  altimg="si23.svg" display="inline" id="d1e564"><mml:mi>α</mml:mi></mml:math>-Bi<mml:math
  xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si24.svg" display="inline"
  id="d1e569"><mml:msub><mml:mrow/><mml:mrow><mml:mn>2</mml:mn></mml:mrow></mml:msub></mml:math>O<mml:math
  xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si25.svg" display="inline"
  id="d1e577"><mml:msub><mml:mrow/><mml:mrow><mml:mn>3</mml:mn></mml:mrow></mml:msub></mml:math>
  surfaces
type: journal_article
user_id: '16199'
volume: 760
year: '2025'
...
---
_id: '60566'
article_number: '074402'
author:
- first_name: Adriana
  full_name: Bocchini, Adriana
  id: '58349'
  last_name: Bocchini
  orcid: 0000-0002-2134-3075
- first_name: Michael
  full_name: Rüsing, Michael
  id: '22501'
  last_name: Rüsing
  orcid: 0000-0003-4682-4577
- first_name: Laura
  full_name: Bollmers, Laura
  id: '61375'
  last_name: Bollmers
- first_name: Sebastian
  full_name: Lengeling, Sebastian
  id: '44373'
  last_name: Lengeling
- first_name: Philipp
  full_name: Mues, Philipp
  id: '49772'
  last_name: Mues
  orcid: 0000-0003-0643-7636
- first_name: Laura
  full_name: Padberg, Laura
  id: '40300'
  last_name: Padberg
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Christine
  full_name: Silberhorn, Christine
  id: '26263'
  last_name: Silberhorn
- first_name: Christof
  full_name: Eigner, Christof
  id: '13244'
  last_name: Eigner
  orcid: https://orcid.org/0000-0002-5693-3083
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Bocchini A, Rüsing M, Bollmers L, et al. Mg dopants in lithium niobate: Defect
    models and impact on domain inversion. <i>Physical Review Materials</i>. 2025;9(7).
    doi:<a href="https://doi.org/10.1103/5wz1-bjyr">10.1103/5wz1-bjyr</a>'
  apa: 'Bocchini, A., Rüsing, M., Bollmers, L., Lengeling, S., Mues, P., Padberg,
    L., Gerstmann, U., Silberhorn, C., Eigner, C., &#38; Schmidt, W. G. (2025). Mg
    dopants in lithium niobate: Defect models and impact on domain inversion. <i>Physical
    Review Materials</i>, <i>9</i>(7), Article 074402. <a href="https://doi.org/10.1103/5wz1-bjyr">https://doi.org/10.1103/5wz1-bjyr</a>'
  bibtex: '@article{Bocchini_Rüsing_Bollmers_Lengeling_Mues_Padberg_Gerstmann_Silberhorn_Eigner_Schmidt_2025,
    title={Mg dopants in lithium niobate: Defect models and impact on domain inversion},
    volume={9}, DOI={<a href="https://doi.org/10.1103/5wz1-bjyr">10.1103/5wz1-bjyr</a>},
    number={7074402}, journal={Physical Review Materials}, publisher={American Physical
    Society (APS)}, author={Bocchini, Adriana and Rüsing, Michael and Bollmers, Laura
    and Lengeling, Sebastian and Mues, Philipp and Padberg, Laura and Gerstmann, Uwe
    and Silberhorn, Christine and Eigner, Christof and Schmidt, Wolf Gero}, year={2025}
    }'
  chicago: 'Bocchini, Adriana, Michael Rüsing, Laura Bollmers, Sebastian Lengeling,
    Philipp Mues, Laura Padberg, Uwe Gerstmann, Christine Silberhorn, Christof Eigner,
    and Wolf Gero Schmidt. “Mg Dopants in Lithium Niobate: Defect Models and Impact
    on Domain Inversion.” <i>Physical Review Materials</i> 9, no. 7 (2025). <a href="https://doi.org/10.1103/5wz1-bjyr">https://doi.org/10.1103/5wz1-bjyr</a>.'
  ieee: 'A. Bocchini <i>et al.</i>, “Mg dopants in lithium niobate: Defect models
    and impact on domain inversion,” <i>Physical Review Materials</i>, vol. 9, no.
    7, Art. no. 074402, 2025, doi: <a href="https://doi.org/10.1103/5wz1-bjyr">10.1103/5wz1-bjyr</a>.'
  mla: 'Bocchini, Adriana, et al. “Mg Dopants in Lithium Niobate: Defect Models and
    Impact on Domain Inversion.” <i>Physical Review Materials</i>, vol. 9, no. 7,
    074402, American Physical Society (APS), 2025, doi:<a href="https://doi.org/10.1103/5wz1-bjyr">10.1103/5wz1-bjyr</a>.'
  short: A. Bocchini, M. Rüsing, L. Bollmers, S. Lengeling, P. Mues, L. Padberg, U.
    Gerstmann, C. Silberhorn, C. Eigner, W.G. Schmidt, Physical Review Materials 9
    (2025).
date_created: 2025-07-09T09:13:24Z
date_updated: 2026-03-17T17:50:06Z
ddc:
- '530'
department:
- _id: '15'
- _id: '623'
- _id: '295'
- _id: '790'
- _id: '288'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '170'
- _id: '169'
- _id: '27'
doi: 10.1103/5wz1-bjyr
file:
- access_level: open_access
  content_type: application/pdf
  creator: adrianab
  date_created: 2025-07-09T09:18:45Z
  date_updated: 2025-07-10T06:43:34Z
  file_id: '60567'
  file_name: Mg_dopants_LN_PRM.pdf
  file_size: 4175120
  relation: main_file
file_date_updated: 2025-07-10T06:43:34Z
has_accepted_license: '1'
intvolume: '         9'
issue: '7'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://link.aps.org/doi/10.1103/5wz1-bjyr
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '168'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '166'
  name: 'TRR 142 - A11: TRR 142 - Subproject A11'
publication: Physical Review Materials
publication_identifier:
  issn:
  - 2475-9953
publication_status: published
publisher: American Physical Society (APS)
status: public
title: 'Mg dopants in lithium niobate: Defect models and impact on domain inversion'
type: journal_article
user_id: '22501'
volume: 9
year: '2025'
...
---
_id: '61255'
abstract:
- lang: eng
  text: "<jats:title>Abstract</jats:title>\r\n               <jats:p>Topological states
    have been widely investigated in different types of systems and lattices. In the
    present work, we report on topological edge states in double-wave (DW) chains,
    which can be described by a generalized Aubry-André-Harper (AAH) model. For the
    specific system of a driven-dissipative exciton polariton system we show that
    in such potential chains, different types of edge states can form. For resonant
    optical excitation, we further find that the optical nonlinearity leads to a multistability
    of different edge states. This includes topologically protected edge states evolved
    directly from individual linear eigenstates as well as additional edge states
    that originate from nonlinearity-induced localization of bulk states. Extending
    the system into two dimensions (2D) by stacking horizontal DW chains in the vertical
    direction, we also create 2D multi-wave lattices. In such 2D lattices multiple
    Su–Schrieffer–Heeger (SSH) chains appear along the vertical direction. The combination
    of DW chains in the horizonal and SSH chains in the vertical direction then results
    in the formation of higher-order topological insulator corner states. Multistable
    corner states emerge in the nonlinear regime.</jats:p>"
author:
- first_name: Tobias
  full_name: Schneider, Tobias
  last_name: Schneider
- first_name: Wenlong
  full_name: Gao, Wenlong
  id: '78853'
  last_name: Gao
- first_name: Thomas
  full_name: Zentgraf, Thomas
  id: '30525'
  last_name: Zentgraf
  orcid: 0000-0002-8662-1101
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
- first_name: Xuekai
  full_name: Ma, Xuekai
  id: '59416'
  last_name: Ma
citation:
  ama: Schneider T, Gao W, Zentgraf T, Schumacher S, Ma X. Topological edge and corner
    states in coupled wave lattices in nonlinear polariton condensates. <i>Nanophotonics</i>.
    2024;13(4):509-518. doi:<a href="https://doi.org/10.1515/nanoph-2023-0556">10.1515/nanoph-2023-0556</a>
  apa: Schneider, T., Gao, W., Zentgraf, T., Schumacher, S., &#38; Ma, X. (2024).
    Topological edge and corner states in coupled wave lattices in nonlinear polariton
    condensates. <i>Nanophotonics</i>, <i>13</i>(4), 509–518. <a href="https://doi.org/10.1515/nanoph-2023-0556">https://doi.org/10.1515/nanoph-2023-0556</a>
  bibtex: '@article{Schneider_Gao_Zentgraf_Schumacher_Ma_2024, title={Topological
    edge and corner states in coupled wave lattices in nonlinear polariton condensates},
    volume={13}, DOI={<a href="https://doi.org/10.1515/nanoph-2023-0556">10.1515/nanoph-2023-0556</a>},
    number={4}, journal={Nanophotonics}, publisher={Walter de Gruyter GmbH}, author={Schneider,
    Tobias and Gao, Wenlong and Zentgraf, Thomas and Schumacher, Stefan and Ma, Xuekai},
    year={2024}, pages={509–518} }'
  chicago: 'Schneider, Tobias, Wenlong Gao, Thomas Zentgraf, Stefan Schumacher, and
    Xuekai Ma. “Topological Edge and Corner States in Coupled Wave Lattices in Nonlinear
    Polariton Condensates.” <i>Nanophotonics</i> 13, no. 4 (2024): 509–18. <a href="https://doi.org/10.1515/nanoph-2023-0556">https://doi.org/10.1515/nanoph-2023-0556</a>.'
  ieee: 'T. Schneider, W. Gao, T. Zentgraf, S. Schumacher, and X. Ma, “Topological
    edge and corner states in coupled wave lattices in nonlinear polariton condensates,”
    <i>Nanophotonics</i>, vol. 13, no. 4, pp. 509–518, 2024, doi: <a href="https://doi.org/10.1515/nanoph-2023-0556">10.1515/nanoph-2023-0556</a>.'
  mla: Schneider, Tobias, et al. “Topological Edge and Corner States in Coupled Wave
    Lattices in Nonlinear Polariton Condensates.” <i>Nanophotonics</i>, vol. 13, no.
    4, Walter de Gruyter GmbH, 2024, pp. 509–18, doi:<a href="https://doi.org/10.1515/nanoph-2023-0556">10.1515/nanoph-2023-0556</a>.
  short: T. Schneider, W. Gao, T. Zentgraf, S. Schumacher, X. Ma, Nanophotonics 13
    (2024) 509–518.
date_created: 2025-09-12T11:19:22Z
date_updated: 2025-09-12T11:22:41Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '705'
- _id: '35'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.1515/nanoph-2023-0556
intvolume: '        13'
issue: '4'
language:
- iso: eng
page: 509-518
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
- _id: '54'
  name: TRR 142 - Project Area A
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '61'
  name: 'TRR 142; TP A04: Nichtlineare Quantenprozesstomographie und Photonik mit
    Polaritonen in Mikrokavitäten'
- _id: '170'
  name: 'TRR 142; TP B09: Effiziente Erzeugung mit maßgeschneiderter optischer Phaselage
    der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen'
publication: Nanophotonics
publication_identifier:
  issn:
  - 2192-8614
publication_status: published
publisher: Walter de Gruyter GmbH
status: public
title: Topological edge and corner states in coupled wave lattices in nonlinear polariton
  condensates
type: journal_article
user_id: '16199'
volume: 13
year: '2024'
...
---
_id: '61357'
author:
- first_name: Marvin
  full_name: Krenz, Marvin
  last_name: Krenz
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Krenz M, Sanna S, Gerstmann U, Schmidt WG. Understanding and Improving Triplet
    Exciton Transfer in Sensitized Silicon Solar Cells. <i>The Journal of Physical
    Chemistry C</i>. 2024;128(41):17774-17778. doi:<a href="https://doi.org/10.1021/acs.jpcc.4c05446">10.1021/acs.jpcc.4c05446</a>
  apa: Krenz, M., Sanna, S., Gerstmann, U., &#38; Schmidt, W. G. (2024). Understanding
    and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells. <i>The
    Journal of Physical Chemistry C</i>, <i>128</i>(41), 17774–17778. <a href="https://doi.org/10.1021/acs.jpcc.4c05446">https://doi.org/10.1021/acs.jpcc.4c05446</a>
  bibtex: '@article{Krenz_Sanna_Gerstmann_Schmidt_2024, title={Understanding and Improving
    Triplet Exciton Transfer in Sensitized Silicon Solar Cells}, volume={128}, DOI={<a
    href="https://doi.org/10.1021/acs.jpcc.4c05446">10.1021/acs.jpcc.4c05446</a>},
    number={41}, journal={The Journal of Physical Chemistry C}, publisher={American
    Chemical Society (ACS)}, author={Krenz, Marvin and Sanna, Simone and Gerstmann,
    Uwe and Schmidt, Wolf Gero}, year={2024}, pages={17774–17778} }'
  chicago: 'Krenz, Marvin, Simone Sanna, Uwe Gerstmann, and Wolf Gero Schmidt. “Understanding
    and Improving Triplet Exciton Transfer in Sensitized Silicon Solar Cells.” <i>The
    Journal of Physical Chemistry C</i> 128, no. 41 (2024): 17774–78. <a href="https://doi.org/10.1021/acs.jpcc.4c05446">https://doi.org/10.1021/acs.jpcc.4c05446</a>.'
  ieee: 'M. Krenz, S. Sanna, U. Gerstmann, and W. G. Schmidt, “Understanding and Improving
    Triplet Exciton Transfer in Sensitized Silicon Solar Cells,” <i>The Journal of
    Physical Chemistry C</i>, vol. 128, no. 41, pp. 17774–17778, 2024, doi: <a href="https://doi.org/10.1021/acs.jpcc.4c05446">10.1021/acs.jpcc.4c05446</a>.'
  mla: Krenz, Marvin, et al. “Understanding and Improving Triplet Exciton Transfer
    in Sensitized Silicon Solar Cells.” <i>The Journal of Physical Chemistry C</i>,
    vol. 128, no. 41, American Chemical Society (ACS), 2024, pp. 17774–78, doi:<a
    href="https://doi.org/10.1021/acs.jpcc.4c05446">10.1021/acs.jpcc.4c05446</a>.
  short: M. Krenz, S. Sanna, U. Gerstmann, W.G. Schmidt, The Journal of Physical Chemistry
    C 128 (2024) 17774–17778.
date_created: 2025-09-18T11:32:33Z
date_updated: 2025-09-18T11:34:21Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '27'
doi: 10.1021/acs.jpcc.4c05446
intvolume: '       128'
issue: '41'
language:
- iso: eng
page: 17774-17778
project:
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
- _id: '54'
  name: TRR 142 - Project Area A
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '166'
  name: TRR 142 - Subproject A11
- _id: '168'
  name: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften von Lithiumniobat
    (B07*)
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
  - 1932-7455
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: Understanding and Improving Triplet Exciton Transfer in Sensitized Silicon
  Solar Cells
type: journal_article
user_id: '16199'
volume: 128
year: '2024'
...
---
_id: '60581'
abstract:
- lang: eng
  text: "<jats:title>Abstract</jats:title>\r\n               <jats:p>The natural band
    alignments between indium phosphide and the main dioxides of titanium, i.e. rutile,
    anatase, and brookite as well as amorphous titania are calculated from the branch-point
    energies of the respective materials. Irrespective of the titania polymorph considered,
    type-I band alignment is predicted. This may change, however, in dependence on
    the microscopic interface structure: supercell calculations for amorphous titania
    grown on P-rich InP(001) surfaces result in a titania conduction band that nearly
    aligns with that of InP. Depending on the interface specifics, both type-I band
    and type-II band alignments are observed in the simulations. This agrees with
    recent experimental findings.</jats:p>"
article_number: '075001'
author:
- first_name: Isaac Azahel
  full_name: Ruiz Alvarado, Isaac Azahel
  id: '79462'
  last_name: Ruiz Alvarado
  orcid: 0000-0002-4710-1170
- first_name: Christian
  full_name: Dreßler, Christian
  last_name: Dreßler
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Ruiz Alvarado IA, Dreßler C, Schmidt WG. Band alignment at InP/TiO<sub>2</sub>
    interfaces from density-functional theory. <i>Journal of Physics: Condensed Matter</i>.
    2024;37(7). doi:<a href="https://doi.org/10.1088/1361-648x/ad9725">10.1088/1361-648x/ad9725</a>'
  apa: 'Ruiz Alvarado, I. A., Dreßler, C., &#38; Schmidt, W. G. (2024). Band alignment
    at InP/TiO<sub>2</sub> interfaces from density-functional theory. <i>Journal of
    Physics: Condensed Matter</i>, <i>37</i>(7), Article 075001. <a href="https://doi.org/10.1088/1361-648x/ad9725">https://doi.org/10.1088/1361-648x/ad9725</a>'
  bibtex: '@article{Ruiz Alvarado_Dreßler_Schmidt_2024, title={Band alignment at InP/TiO<sub>2</sub>
    interfaces from density-functional theory}, volume={37}, DOI={<a href="https://doi.org/10.1088/1361-648x/ad9725">10.1088/1361-648x/ad9725</a>},
    number={7075001}, journal={Journal of Physics: Condensed Matter}, publisher={IOP
    Publishing}, author={Ruiz Alvarado, Isaac Azahel and Dreßler, Christian and Schmidt,
    Wolf Gero}, year={2024} }'
  chicago: 'Ruiz Alvarado, Isaac Azahel, Christian Dreßler, and Wolf Gero Schmidt.
    “Band Alignment at InP/TiO<sub>2</sub> Interfaces from Density-Functional Theory.”
    <i>Journal of Physics: Condensed Matter</i> 37, no. 7 (2024). <a href="https://doi.org/10.1088/1361-648x/ad9725">https://doi.org/10.1088/1361-648x/ad9725</a>.'
  ieee: 'I. A. Ruiz Alvarado, C. Dreßler, and W. G. Schmidt, “Band alignment at InP/TiO<sub>2</sub>
    interfaces from density-functional theory,” <i>Journal of Physics: Condensed Matter</i>,
    vol. 37, no. 7, Art. no. 075001, 2024, doi: <a href="https://doi.org/10.1088/1361-648x/ad9725">10.1088/1361-648x/ad9725</a>.'
  mla: 'Ruiz Alvarado, Isaac Azahel, et al. “Band Alignment at InP/TiO<sub>2</sub>
    Interfaces from Density-Functional Theory.” <i>Journal of Physics: Condensed Matter</i>,
    vol. 37, no. 7, 075001, IOP Publishing, 2024, doi:<a href="https://doi.org/10.1088/1361-648x/ad9725">10.1088/1361-648x/ad9725</a>.'
  short: 'I.A. Ruiz Alvarado, C. Dreßler, W.G. Schmidt, Journal of Physics: Condensed
    Matter 37 (2024).'
date_created: 2025-07-09T13:40:51Z
date_updated: 2025-12-05T13:35:44Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '27'
- _id: '35'
doi: 10.1088/1361-648x/ad9725
intvolume: '        37'
issue: '7'
language:
- iso: eng
project:
- _id: '53'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '168'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
  issn:
  - 0953-8984
  - 1361-648X
publication_status: published
publisher: IOP Publishing
status: public
title: Band alignment at InP/TiO<sub>2</sub> interfaces from density-functional theory
type: journal_article
user_id: '16199'
volume: 37
year: '2024'
...
---
_id: '54868'
abstract:
- lang: eng
  text: <jats:title>Abstract</jats:title><jats:p>Most properties of solid materials
    are defined by their internal electric field and charge density distributions
    which so far are difficult to measure with high spatial resolution. Especially
    for 2D materials, the atomic electric fields influence the optoelectronic properties.
    In this study, the atomic‐scale electric field and charge density distribution
    of WSe<jats:sub>2</jats:sub> bi‐ and trilayers are revealed using an emerging
    microscopy technique, differential phase contrast (DPC) imaging in scanning transmission
    electron microscopy (STEM). For pristine material, a higher positive charge density
    located at the selenium atomic columns compared to the tungsten atomic columns
    is obtained and tentatively explained by a coherent scattering effect. Furthermore,
    the change in the electric field distribution induced by a missing selenium atomic
    column is investigated. A characteristic electric field distribution in the vicinity
    of the defect with locally reduced magnitudes compared to the pristine lattice
    is observed. This effect is accompanied by a considerable inward relaxation of
    the surrounding lattice, which according to first principles DFT calculation is
    fully compatible with a missing column of Se atoms. This shows that DPC imaging,
    as an electric field sensitive technique, provides additional and remarkable information
    to the otherwise only structural analysis obtained with conventional STEM imaging.</jats:p>
article_type: original
author:
- first_name: Maja
  full_name: Groll, Maja
  last_name: Groll
- first_name: Julius
  full_name: Bürger, Julius
  id: '46952'
  last_name: Bürger
- first_name: Ioannis
  full_name: Caltzidis, Ioannis
  id: '87911'
  last_name: Caltzidis
- first_name: Klaus D.
  full_name: Jöns, Klaus D.
  id: '85353'
  last_name: Jöns
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Jörg K. N.
  full_name: Lindner, Jörg K. N.
  id: '20797'
  last_name: Lindner
citation:
  ama: Groll M, Bürger J, Caltzidis I, et al. DFT‐Assisted Investigation of the Electric
    Field and Charge Density Distribution of Pristine and Defective 2D WSe<sub>2</sub>
    by Differential Phase Contrast Imaging. <i>Small</i>. Published online 2024. doi:<a
    href="https://doi.org/10.1002/smll.202311635">10.1002/smll.202311635</a>
  apa: Groll, M., Bürger, J., Caltzidis, I., Jöns, K. D., Schmidt, W. G., Gerstmann,
    U., &#38; Lindner, J. K. N. (2024). DFT‐Assisted Investigation of the Electric
    Field and Charge Density Distribution of Pristine and Defective 2D WSe<sub>2</sub>
    by Differential Phase Contrast Imaging. <i>Small</i>. <a href="https://doi.org/10.1002/smll.202311635">https://doi.org/10.1002/smll.202311635</a>
  bibtex: '@article{Groll_Bürger_Caltzidis_Jöns_Schmidt_Gerstmann_Lindner_2024, title={DFT‐Assisted
    Investigation of the Electric Field and Charge Density Distribution of Pristine
    and Defective 2D WSe<sub>2</sub> by Differential Phase Contrast Imaging}, DOI={<a
    href="https://doi.org/10.1002/smll.202311635">10.1002/smll.202311635</a>}, journal={Small},
    publisher={Wiley}, author={Groll, Maja and Bürger, Julius and Caltzidis, Ioannis
    and Jöns, Klaus D. and Schmidt, Wolf Gero and Gerstmann, Uwe and Lindner, Jörg
    K. N.}, year={2024} }'
  chicago: Groll, Maja, Julius Bürger, Ioannis Caltzidis, Klaus D. Jöns, Wolf Gero
    Schmidt, Uwe Gerstmann, and Jörg K. N. Lindner. “DFT‐Assisted Investigation of
    the Electric Field and Charge Density Distribution of Pristine and Defective 2D
    WSe<sub>2</sub> by Differential Phase Contrast Imaging.” <i>Small</i>, 2024. <a
    href="https://doi.org/10.1002/smll.202311635">https://doi.org/10.1002/smll.202311635</a>.
  ieee: 'M. Groll <i>et al.</i>, “DFT‐Assisted Investigation of the Electric Field
    and Charge Density Distribution of Pristine and Defective 2D WSe<sub>2</sub> by
    Differential Phase Contrast Imaging,” <i>Small</i>, 2024, doi: <a href="https://doi.org/10.1002/smll.202311635">10.1002/smll.202311635</a>.'
  mla: Groll, Maja, et al. “DFT‐Assisted Investigation of the Electric Field and Charge
    Density Distribution of Pristine and Defective 2D WSe<sub>2</sub> by Differential
    Phase Contrast Imaging.” <i>Small</i>, Wiley, 2024, doi:<a href="https://doi.org/10.1002/smll.202311635">10.1002/smll.202311635</a>.
  short: M. Groll, J. Bürger, I. Caltzidis, K.D. Jöns, W.G. Schmidt, U. Gerstmann,
    J.K.N. Lindner, Small (2024).
date_created: 2024-06-24T09:46:25Z
date_updated: 2025-12-05T13:39:01Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '642'
- _id: '286'
- _id: '429'
- _id: '230'
- _id: '27'
- _id: '35'
- _id: '169'
doi: 10.1002/smll.202311635
language:
- iso: eng
project:
- _id: '53'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '166'
  name: 'TRR 142 - A11: TRR 142 - Subproject A11'
- _id: '168'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Small
publication_identifier:
  issn:
  - 1613-6810
  - 1613-6829
publication_status: published
publisher: Wiley
status: public
title: DFT‐Assisted Investigation of the Electric Field and Charge Density Distribution
  of Pristine and Defective 2D WSe<sub>2</sub> by Differential Phase Contrast Imaging
type: journal_article
user_id: '16199'
year: '2024'
...
---
_id: '54856'
abstract:
- lang: eng
  text: "<jats:title>Abstract</jats:title>\r\n               <jats:p>Theoretical spectroscopy
    based on double perturbation theory is typically challenged by systems with large
    orbital hyperfine splitting. Therefore, we here derive a rigorous, non-perturbative
    scheme starting from Dirac’s equation which allows to calculate the contribution
    of the orbital HFI for complex structures including heavy atoms with strong spin-orbit
    coupling (SOC). Using the PAW formalism, the method has been implemented in the
    software package Quantum ESPRESSO. We show that the ‘orbital part’ actually scales
    with SOC strength if orbital quenching is hindered by low local symmetry, i.e.
    in case of dimers or atoms at surfaces. This holds true in particular when the
    unpaired electron is localized in quasi-atomic <jats:italic>p</jats:italic>-like
    orbitals. Here, the orbital part is by far not negligible, but becomes dominant
    by surpassing the dipolar contribution by a factor of five.</jats:p>"
article_number: '012094'
author:
- first_name: Katharina
  full_name: Franzke, Katharina
  last_name: Franzke
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: 'Franzke K, Schmidt WG, Gerstmann U. Relativistic calculation of the orbital
    hyperfine splitting in complex microscopic structures. <i>Journal of Physics:
    Conference Series</i>. 2024;2701(1). doi:<a href="https://doi.org/10.1088/1742-6596/2701/1/012094">10.1088/1742-6596/2701/1/012094</a>'
  apa: 'Franzke, K., Schmidt, W. G., &#38; Gerstmann, U. (2024). Relativistic calculation
    of the orbital hyperfine splitting in complex microscopic structures. <i>Journal
    of Physics: Conference Series</i>, <i>2701</i>(1), Article 012094. <a href="https://doi.org/10.1088/1742-6596/2701/1/012094">https://doi.org/10.1088/1742-6596/2701/1/012094</a>'
  bibtex: '@article{Franzke_Schmidt_Gerstmann_2024, title={Relativistic calculation
    of the orbital hyperfine splitting in complex microscopic structures}, volume={2701},
    DOI={<a href="https://doi.org/10.1088/1742-6596/2701/1/012094">10.1088/1742-6596/2701/1/012094</a>},
    number={1012094}, journal={Journal of Physics: Conference Series}, publisher={IOP
    Publishing}, author={Franzke, Katharina and Schmidt, Wolf Gero and Gerstmann,
    Uwe}, year={2024} }'
  chicago: 'Franzke, Katharina, Wolf Gero Schmidt, and Uwe Gerstmann. “Relativistic
    Calculation of the Orbital Hyperfine Splitting in Complex Microscopic Structures.”
    <i>Journal of Physics: Conference Series</i> 2701, no. 1 (2024). <a href="https://doi.org/10.1088/1742-6596/2701/1/012094">https://doi.org/10.1088/1742-6596/2701/1/012094</a>.'
  ieee: 'K. Franzke, W. G. Schmidt, and U. Gerstmann, “Relativistic calculation of
    the orbital hyperfine splitting in complex microscopic structures,” <i>Journal
    of Physics: Conference Series</i>, vol. 2701, no. 1, Art. no. 012094, 2024, doi:
    <a href="https://doi.org/10.1088/1742-6596/2701/1/012094">10.1088/1742-6596/2701/1/012094</a>.'
  mla: 'Franzke, Katharina, et al. “Relativistic Calculation of the Orbital Hyperfine
    Splitting in Complex Microscopic Structures.” <i>Journal of Physics: Conference
    Series</i>, vol. 2701, no. 1, 012094, IOP Publishing, 2024, doi:<a href="https://doi.org/10.1088/1742-6596/2701/1/012094">10.1088/1742-6596/2701/1/012094</a>.'
  short: 'K. Franzke, W.G. Schmidt, U. Gerstmann, Journal of Physics: Conference Series
    2701 (2024).'
date_created: 2024-06-24T06:26:02Z
date_updated: 2025-12-05T13:36:01Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '230'
- _id: '429'
- _id: '27'
- _id: '35'
doi: 10.1088/1742-6596/2701/1/012094
intvolume: '      2701'
issue: '1'
language:
- iso: eng
project:
- _id: '53'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '166'
  name: 'TRR 142 - A11: TRR 142 - Subproject A11'
- _id: '168'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: 'Journal of Physics: Conference Series'
publication_identifier:
  issn:
  - 1742-6588
  - 1742-6596
publication_status: published
publisher: IOP Publishing
status: public
title: Relativistic calculation of the orbital hyperfine splitting in complex microscopic
  structures
type: journal_article
user_id: '16199'
volume: 2701
year: '2024'
...
---
_id: '54865'
article_number: '076201'
author:
- first_name: Marvin
  full_name: Krenz, Marvin
  id: '52309'
  last_name: Krenz
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Krenz M, Gerstmann U, Schmidt WG. Defect-Assisted Exciton Transfer across the
    Tetracene-Si(111):H Interface. <i>Physical Review Letters</i>. 2024;132(7). doi:<a
    href="https://doi.org/10.1103/physrevlett.132.076201">10.1103/physrevlett.132.076201</a>
  apa: Krenz, M., Gerstmann, U., &#38; Schmidt, W. G. (2024). Defect-Assisted Exciton
    Transfer across the Tetracene-Si(111):H Interface. <i>Physical Review Letters</i>,
    <i>132</i>(7), Article 076201. <a href="https://doi.org/10.1103/physrevlett.132.076201">https://doi.org/10.1103/physrevlett.132.076201</a>
  bibtex: '@article{Krenz_Gerstmann_Schmidt_2024, title={Defect-Assisted Exciton Transfer
    across the Tetracene-Si(111):H Interface}, volume={132}, DOI={<a href="https://doi.org/10.1103/physrevlett.132.076201">10.1103/physrevlett.132.076201</a>},
    number={7076201}, journal={Physical Review Letters}, publisher={American Physical
    Society (APS)}, author={Krenz, Marvin and Gerstmann, Uwe and Schmidt, Wolf Gero},
    year={2024} }'
  chicago: Krenz, Marvin, Uwe Gerstmann, and Wolf Gero Schmidt. “Defect-Assisted Exciton
    Transfer across the Tetracene-Si(111):H Interface.” <i>Physical Review Letters</i>
    132, no. 7 (2024). <a href="https://doi.org/10.1103/physrevlett.132.076201">https://doi.org/10.1103/physrevlett.132.076201</a>.
  ieee: 'M. Krenz, U. Gerstmann, and W. G. Schmidt, “Defect-Assisted Exciton Transfer
    across the Tetracene-Si(111):H Interface,” <i>Physical Review Letters</i>, vol.
    132, no. 7, Art. no. 076201, 2024, doi: <a href="https://doi.org/10.1103/physrevlett.132.076201">10.1103/physrevlett.132.076201</a>.'
  mla: Krenz, Marvin, et al. “Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H
    Interface.” <i>Physical Review Letters</i>, vol. 132, no. 7, 076201, American
    Physical Society (APS), 2024, doi:<a href="https://doi.org/10.1103/physrevlett.132.076201">10.1103/physrevlett.132.076201</a>.
  short: M. Krenz, U. Gerstmann, W.G. Schmidt, Physical Review Letters 132 (2024).
date_created: 2024-06-24T09:39:42Z
date_updated: 2025-12-05T13:38:22Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '429'
- _id: '27'
- _id: '230'
- _id: '35'
doi: 10.1103/physrevlett.132.076201
intvolume: '       132'
issue: '7'
language:
- iso: eng
project:
- _id: '53'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '168'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '166'
  name: 'TRR 142 - A11: TRR 142 - Subproject A11'
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Review Letters
publication_identifier:
  issn:
  - 0031-9007
  - 1079-7114
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Defect-Assisted Exciton Transfer across the Tetracene-Si(111):H Interface
type: journal_article
user_id: '16199'
volume: 132
year: '2024'
...
---
_id: '47997'
abstract:
- lang: eng
  text: The crystal family of potassium titanyl phosphate (KTiOPO4) is a promising
    material group for applications in quantum and nonlinear optics. The fabrication
    of low-loss optical waveguides, as well as high-grade periodically poled ferroelectric
    domain structures, requires a profound understanding of the material properties
    and crystal structure. In this regard, Raman spectroscopy offers the possibility
    to study and visualize domain structures, strain, defects, and the local stoichiometry,
    which are all factors impacting device performance. However, the accurate interpretation
    of Raman spectra and their changes with respect to extrinsic and intrinsic defects
    requires a thorough assignment of the Raman modes to their respective crystal
    features, which to date is only partly conducted based on phenomenological modelling.
    To address this issue, we calculated the phonon spectra of potassium titanyl phosphate
    and the related compounds rubidium titanyl phosphate (RbTiOPO4) and potassium
    titanyl arsenate (KTiOAsO4) based on density functional theory and compared them
    with experimental data. Overall, this allows us to assign various spectral features
    to eigenmodes of lattice substructures with improved detail compared to previous
    assignments. Nevertheless, the analysis also shows that not all features of the
    spectra can unambigiously be explained yet. A possible explanation might be that
    defects or long range fields not included in the modeling play a crucial rule
    for the resulting Raman spectrum. In conclusion, this work provides an improved
    foundation into the vibrational properties in the KTiOPO4 material family.
article_number: '1423'
author:
- first_name: Sergej
  full_name: Neufeld, Sergej
  last_name: Neufeld
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Laura
  full_name: Padberg, Laura
  id: '40300'
  last_name: Padberg
- first_name: Christof
  full_name: Eigner, Christof
  id: '13244'
  last_name: Eigner
  orcid: https://orcid.org/0000-0002-5693-3083
- first_name: Gerhard
  full_name: Berth, Gerhard
  id: '53'
  last_name: Berth
- first_name: Christine
  full_name: Silberhorn, Christine
  id: '26263'
  last_name: Silberhorn
- first_name: Lukas M.
  full_name: Eng, Lukas M.
  last_name: Eng
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Michael
  full_name: Rüsing, Michael
  id: '22501'
  last_name: Rüsing
  orcid: 0000-0003-4682-4577
citation:
  ama: Neufeld S, Gerstmann U, Padberg L, et al. Vibrational Properties of the Potassium
    Titanyl Phosphate Crystal Family. <i>Crystals</i>. 2023;13(10). doi:<a href="https://doi.org/10.3390/cryst13101423">10.3390/cryst13101423</a>
  apa: Neufeld, S., Gerstmann, U., Padberg, L., Eigner, C., Berth, G., Silberhorn,
    C., Eng, L. M., Schmidt, W. G., &#38; Rüsing, M. (2023). Vibrational Properties
    of the Potassium Titanyl Phosphate Crystal Family. <i>Crystals</i>, <i>13</i>(10),
    Article 1423. <a href="https://doi.org/10.3390/cryst13101423">https://doi.org/10.3390/cryst13101423</a>
  bibtex: '@article{Neufeld_Gerstmann_Padberg_Eigner_Berth_Silberhorn_Eng_Schmidt_Rüsing_2023,
    title={Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family},
    volume={13}, DOI={<a href="https://doi.org/10.3390/cryst13101423">10.3390/cryst13101423</a>},
    number={101423}, journal={Crystals}, publisher={MDPI AG}, author={Neufeld, Sergej
    and Gerstmann, Uwe and Padberg, Laura and Eigner, Christof and Berth, Gerhard
    and Silberhorn, Christine and Eng, Lukas M. and Schmidt, Wolf Gero and Rüsing,
    Michael}, year={2023} }'
  chicago: Neufeld, Sergej, Uwe Gerstmann, Laura Padberg, Christof Eigner, Gerhard
    Berth, Christine Silberhorn, Lukas M. Eng, Wolf Gero Schmidt, and Michael Rüsing.
    “Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family.” <i>Crystals</i>
    13, no. 10 (2023). <a href="https://doi.org/10.3390/cryst13101423">https://doi.org/10.3390/cryst13101423</a>.
  ieee: 'S. Neufeld <i>et al.</i>, “Vibrational Properties of the Potassium Titanyl
    Phosphate Crystal Family,” <i>Crystals</i>, vol. 13, no. 10, Art. no. 1423, 2023,
    doi: <a href="https://doi.org/10.3390/cryst13101423">10.3390/cryst13101423</a>.'
  mla: Neufeld, Sergej, et al. “Vibrational Properties of the Potassium Titanyl Phosphate
    Crystal Family.” <i>Crystals</i>, vol. 13, no. 10, 1423, MDPI AG, 2023, doi:<a
    href="https://doi.org/10.3390/cryst13101423">10.3390/cryst13101423</a>.
  short: S. Neufeld, U. Gerstmann, L. Padberg, C. Eigner, G. Berth, C. Silberhorn,
    L.M. Eng, W.G. Schmidt, M. Rüsing, Crystals 13 (2023).
date_created: 2023-10-11T09:10:53Z
date_updated: 2023-10-11T09:15:58Z
department:
- _id: '169'
doi: 10.3390/cryst13101423
funded_apc: '1'
intvolume: '        13'
issue: '10'
keyword:
- Inorganic Chemistry
- Condensed Matter Physics
- General Materials Science
- General Chemical Engineering
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://doi.org/10.3390/cryst13101423
oa: '1'
project:
- _id: '168'
  grant_number: '231447078'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '266'
  grant_number: PROFILNRW-2020-067
  name: 'PhoQC: PhoQC: Photonisches Quantencomputing'
publication: Crystals
publication_identifier:
  issn:
  - 2073-4352
publication_status: published
publisher: MDPI AG
quality_controlled: '1'
status: public
title: Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family
type: journal_article
user_id: '22501'
volume: 13
year: '2023'
...
---
_id: '43246'
abstract:
- lang: eng
  text: The biexciton-exciton emission cascade commonly used in quantum-dot systems
    to generate polarization entanglement yields photons with intrinsically limited
    indistinguishability. In the present work we focus on the generation of pairs
    of photons with high degrees of polarization entanglement and simultaneously high
    indistinguishibility. We achieve this goal by selectively reducing the biexciton
    lifetime with an optical resonator. We demonstrate that a suitably tailored circular
    Bragg reflector fulfills the requirements of sufficient selective Purcell enhancement
    of biexciton emission paired with spectrally broad photon extraction and two-fold
    degenerate optical modes. Our in-depth theoretical study combines (i) the optimization
    of realistic photonic structures solving Maxwell's equations from which model
    parameters are extracted as input for (ii) microscopic simulations of quantum-dot
    cavity excitation dynamics with full access to photon properties. We report non-trivial
    dependencies on system parameters and use the predictive power of our combined
    theoretical approach to determine the optimal range of Purcell enhancement that
    maximizes indistinguishability and entanglement to near unity values in the telecom
    C-band at $1550\,\mathrm{nm}$.
author:
- first_name: David
  full_name: Bauch, David
  last_name: Bauch
- first_name: Dustin
  full_name: Siebert, Dustin
  last_name: Siebert
- first_name: Klaus
  full_name: Jöns, Klaus
  id: '85353'
  last_name: Jöns
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
citation:
  ama: Bauch D, Siebert D, Jöns K, Förstner J, Schumacher S. On-demand indistinguishable
    and entangled photons at telecom frequencies using tailored cavity designs. Published
    online 2023.
  apa: Bauch, D., Siebert, D., Jöns, K., Förstner, J., &#38; Schumacher, S. (2023).
    <i>On-demand indistinguishable and entangled photons at telecom frequencies using
    tailored cavity designs</i>.
  bibtex: '@article{Bauch_Siebert_Jöns_Förstner_Schumacher_2023, title={On-demand
    indistinguishable and entangled photons at telecom frequencies using tailored
    cavity designs}, author={Bauch, David and Siebert, Dustin and Jöns, Klaus and
    Förstner, Jens and Schumacher, Stefan}, year={2023} }'
  chicago: Bauch, David, Dustin Siebert, Klaus Jöns, Jens Förstner, and Stefan Schumacher.
    “On-Demand Indistinguishable and Entangled Photons at Telecom Frequencies Using
    Tailored Cavity Designs,” 2023.
  ieee: D. Bauch, D. Siebert, K. Jöns, J. Förstner, and S. Schumacher, “On-demand
    indistinguishable and entangled photons at telecom frequencies using tailored
    cavity designs.” 2023.
  mla: Bauch, David, et al. <i>On-Demand Indistinguishable and Entangled Photons at
    Telecom Frequencies Using Tailored Cavity Designs</i>. 2023.
  short: D. Bauch, D. Siebert, K. Jöns, J. Förstner, S. Schumacher, (2023).
date_created: 2023-03-31T13:22:05Z
date_updated: 2023-12-21T10:41:17Z
department:
- _id: '61'
- _id: '230'
- _id: '429'
- _id: '623'
- _id: '15'
- _id: '35'
- _id: '170'
- _id: '297'
keyword:
- tet_topic_phc
- tet_topic_qd
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://arxiv.org/pdf/2303.13871.pdf
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '173'
  grant_number: '231447078'
  name: 'TRR 142 - C09: TRR 142 - Subproject C09'
- _id: '167'
  grant_number: '231447078'
  name: 'TRR 142 - B06: TRR 142 - Subproject B06'
- _id: '53'
  grant_number: '231447078'
  name: 'TRR 142: TRR 142'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '56'
  name: 'TRR 142 - C: TRR 142 - Project Area C'
related_material:
  record:
  - id: '48599'
    relation: later_version
    status: public
status: public
title: On-demand indistinguishable and entangled photons at telecom frequencies using
  tailored cavity designs
type: preprint
user_id: '16199'
year: '2023'
...
---
_id: '49607'
abstract:
- lang: eng
  text: In this work, we utilize thin dielectric meta-atoms placed on a silver substrate
    to efficiently enhance and manipulate the third-harmonic generation. We theoretically
    and experimentally reveal that when the structural symmetry of the meta-atom is
    incompatible with the lattice symmetry of an array, some generalized nonlinear
    geometric phases appear, which offers new possibilities for harmonic generation
    control beyond the accessible symmetries governed by the selection rule. The underlying
    mechanism is attributed to the modified rotation of the effective principal axis
    of a dense meta-atom array, where the strong coupling among the units gives rise
    to a generalized linear geometric phase modulation of the pump light. Therefore,
    nonlinear geometric phases carried by third-harmonic emissions are the natural
    result of the wave-mixing process among the modes excited at the fundamental frequency.
    This mechanism further points out a new strategy to predict the nonlinear geometric
    phases delivered by the nanostructures according to their linear responses. Our
    design is simple and efficient and offers alternatives for the nonlinear meta-devices
    that are capable of flexible photon generation and manipulation.
article_type: original
author:
- first_name: Bingyi
  full_name: Liu, Bingyi
  last_name: Liu
- first_name: René
  full_name: Geromel, René
  last_name: Geromel
- first_name: Zhaoxian
  full_name: Su, Zhaoxian
  last_name: Su
- first_name: Kai
  full_name: Guo, Kai
  last_name: Guo
- first_name: Yongtian
  full_name: Wang, Yongtian
  last_name: Wang
- first_name: Zhongyi
  full_name: Guo, Zhongyi
  last_name: Guo
- first_name: Lingling
  full_name: Huang, Lingling
  last_name: Huang
- first_name: Thomas
  full_name: Zentgraf, Thomas
  id: '30525'
  last_name: Zentgraf
  orcid: 0000-0002-8662-1101
citation:
  ama: Liu B, Geromel R, Su Z, et al. Nonlinear Dielectric Geometric-Phase Metasurface
    with Simultaneous Structure and Lattice Symmetry Design. <i>ACS Photonics</i>.
    2023;10(12):4357-4366. doi:<a href="https://doi.org/10.1021/acsphotonics.3c01163">10.1021/acsphotonics.3c01163</a>
  apa: Liu, B., Geromel, R., Su, Z., Guo, K., Wang, Y., Guo, Z., Huang, L., &#38;
    Zentgraf, T. (2023). Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous
    Structure and Lattice Symmetry Design. <i>ACS Photonics</i>, <i>10</i>(12), 4357–4366.
    <a href="https://doi.org/10.1021/acsphotonics.3c01163">https://doi.org/10.1021/acsphotonics.3c01163</a>
  bibtex: '@article{Liu_Geromel_Su_Guo_Wang_Guo_Huang_Zentgraf_2023, title={Nonlinear
    Dielectric Geometric-Phase Metasurface with Simultaneous Structure and Lattice
    Symmetry Design}, volume={10}, DOI={<a href="https://doi.org/10.1021/acsphotonics.3c01163">10.1021/acsphotonics.3c01163</a>},
    number={12}, journal={ACS Photonics}, publisher={American Chemical Society (ACS)},
    author={Liu, Bingyi and Geromel, René and Su, Zhaoxian and Guo, Kai and Wang,
    Yongtian and Guo, Zhongyi and Huang, Lingling and Zentgraf, Thomas}, year={2023},
    pages={4357–4366} }'
  chicago: 'Liu, Bingyi, René Geromel, Zhaoxian Su, Kai Guo, Yongtian Wang, Zhongyi
    Guo, Lingling Huang, and Thomas Zentgraf. “Nonlinear Dielectric Geometric-Phase
    Metasurface with Simultaneous Structure and Lattice Symmetry Design.” <i>ACS Photonics</i>
    10, no. 12 (2023): 4357–66. <a href="https://doi.org/10.1021/acsphotonics.3c01163">https://doi.org/10.1021/acsphotonics.3c01163</a>.'
  ieee: 'B. Liu <i>et al.</i>, “Nonlinear Dielectric Geometric-Phase Metasurface with
    Simultaneous Structure and Lattice Symmetry Design,” <i>ACS Photonics</i>, vol.
    10, no. 12, pp. 4357–4366, 2023, doi: <a href="https://doi.org/10.1021/acsphotonics.3c01163">10.1021/acsphotonics.3c01163</a>.'
  mla: Liu, Bingyi, et al. “Nonlinear Dielectric Geometric-Phase Metasurface with
    Simultaneous Structure and Lattice Symmetry Design.” <i>ACS Photonics</i>, vol.
    10, no. 12, American Chemical Society (ACS), 2023, pp. 4357–66, doi:<a href="https://doi.org/10.1021/acsphotonics.3c01163">10.1021/acsphotonics.3c01163</a>.
  short: B. Liu, R. Geromel, Z. Su, K. Guo, Y. Wang, Z. Guo, L. Huang, T. Zentgraf,
    ACS Photonics 10 (2023) 4357–4366.
date_created: 2023-12-13T14:11:41Z
date_updated: 2024-04-16T06:47:40Z
department:
- _id: '15'
- _id: '230'
- _id: '289'
- _id: '623'
doi: 10.1021/acsphotonics.3c01163
funded_apc: '1'
intvolume: '        10'
issue: '12'
keyword:
- Electrical and Electronic Engineering
- Atomic and Molecular Physics
- and Optics
- Biotechnology
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://pubs.acs.org/doi/full/10.1021/acsphotonics.3c01163
oa: '1'
page: 4357-4366
project:
- _id: '170'
  grant_number: '231447078'
  name: 'TRR 142 - B09: TRR 142 - Effiziente Erzeugung mit maßgeschneiderter optischer
    Phaselage der zweiten Harmonischen mittels Quasi-gebundener Zustände in GaAs Metaoberflächen
    (B09*)'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '53'
  grant_number: '231447078'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
publication: ACS Photonics
publication_identifier:
  issn:
  - 2330-4022
  - 2330-4022
publication_status: published
publisher: American Chemical Society (ACS)
quality_controlled: '1'
status: public
title: Nonlinear Dielectric Geometric-Phase Metasurface with Simultaneous Structure
  and Lattice Symmetry Design
type: journal_article
user_id: '30525'
volume: 10
year: '2023'
...
---
_id: '54854'
abstract:
- lang: eng
  text: '<jats:p>Batteries based on heavier alkali ions are considered promising candidates
    to substitute for current Li-based technologies. In this theoretical study, we
    characterize the structural properties of a novel material, i.e., F-doped RbTiOPO4
    (RbTiPO4F, RTP:F), and discuss aspects of its electrochemical performance in Rb-ion
    batteries (RIBs) using density functional theory (DFT). According to our calculations,
    RTP:F is expected to retain the so-called KTiOPO4 (KTP)-type structure, with lattice
    parameters of 13.236 Å, 6.616 Å, and 10.945 Å. Due to the doping with F, the crystal
    features eight extra electrons per unit cell, whereby each of these electrons
    is trapped by one of the surrounding Ti atoms in the cell. Notably, the ground
    state of the system corresponds to a ferromagnetic spin configuration (i.e., S=4).
    The deintercalation of Rb leads to the oxidation of the Ti atoms in the cell (i.e.,
    from Ti3+ to Ti4+) and to reduced magnetic moments. The material promises interesting
    electrochemical properties for the cathode: rather high average voltages above
    2.8 V and modest volume shrinkages below 13% even in the fully deintercalated
    case are predicted.</jats:p>'
article_number: '5'
author:
- first_name: Adriana
  full_name: Bocchini, Adriana
  id: '58349'
  last_name: Bocchini
  orcid: 0000-0002-2134-3075
- first_name: Yingjie
  full_name: Xie, Yingjie
  last_name: Xie
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: Bocchini A, Xie Y, Schmidt WG, Gerstmann U. Structural and Electrochemical
    Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles. <i>Crystals</i>.
    2023;14(1). doi:<a href="https://doi.org/10.3390/cryst14010005">10.3390/cryst14010005</a>
  apa: Bocchini, A., Xie, Y., Schmidt, W. G., &#38; Gerstmann, U. (2023). Structural
    and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First
    Principles. <i>Crystals</i>, <i>14</i>(1), Article 5. <a href="https://doi.org/10.3390/cryst14010005">https://doi.org/10.3390/cryst14010005</a>
  bibtex: '@article{Bocchini_Xie_Schmidt_Gerstmann_2023, title={Structural and Electrochemical
    Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles}, volume={14},
    DOI={<a href="https://doi.org/10.3390/cryst14010005">10.3390/cryst14010005</a>},
    number={15}, journal={Crystals}, publisher={MDPI AG}, author={Bocchini, Adriana
    and Xie, Yingjie and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2023} }'
  chicago: Bocchini, Adriana, Yingjie Xie, Wolf Gero Schmidt, and Uwe Gerstmann. “Structural
    and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First
    Principles.” <i>Crystals</i> 14, no. 1 (2023). <a href="https://doi.org/10.3390/cryst14010005">https://doi.org/10.3390/cryst14010005</a>.
  ieee: 'A. Bocchini, Y. Xie, W. G. Schmidt, and U. Gerstmann, “Structural and Electrochemical
    Properties of F-Doped RbTiOPO4 (RTP:F) Predicted from First Principles,” <i>Crystals</i>,
    vol. 14, no. 1, Art. no. 5, 2023, doi: <a href="https://doi.org/10.3390/cryst14010005">10.3390/cryst14010005</a>.'
  mla: Bocchini, Adriana, et al. “Structural and Electrochemical Properties of F-Doped
    RbTiOPO4 (RTP:F) Predicted from First Principles.” <i>Crystals</i>, vol. 14, no.
    1, 5, MDPI AG, 2023, doi:<a href="https://doi.org/10.3390/cryst14010005">10.3390/cryst14010005</a>.
  short: A. Bocchini, Y. Xie, W.G. Schmidt, U. Gerstmann, Crystals 14 (2023).
date_created: 2024-06-24T06:21:04Z
date_updated: 2024-06-24T06:30:13Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.3390/cryst14010005
intvolume: '        14'
issue: '1'
language:
- iso: eng
project:
- _id: '53'
  grant_number: '231447078'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '166'
  name: 'TRR 142 - A11: TRR 142 - Subproject A11'
- _id: '168'
  grant_number: '231447078'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Crystals
publication_identifier:
  issn:
  - 2073-4352
publication_status: published
publisher: MDPI AG
status: public
title: Structural and Electrochemical Properties of F-Doped RbTiOPO4 (RTP:F) Predicted
  from First Principles
type: journal_article
user_id: '16199'
volume: 14
year: '2023'
...
---
_id: '50012'
abstract:
- lang: eng
  text: Silicon photonics, in conjunction with complementary metal-oxide-semiconductor
    (CMOS) fabrication, has greatly enhanced the development of integrated optical
    phased arrays. This facilitates a dynamic control of light in a compact form factor
    that enables the synthesis of arbitrary complex wavefronts in the infrared spectrum.
    We numerically demonstrate a large-scale two-dimensional silicon-based optical
    phased array (OPA) composed of nanoantennas with circular gratings that are balanced
    in power and aligned in phase, required for producing elegant radiation patterns
    in the far-field. For a wavelength of 1.55 μm, we optimize two antennas for the
    OPA exhibiting an upward radiation efficiency as high as 90%, with almost 6.8%
    of optical power concentrated in the field of view. Additionally, we believe that
    the proposed OPAs can be easily fabricated and would have the ability to generate
    complex holographic images, rendering them an attractive candidate for a wide
    range of applications like LiDAR sensors, optical trapping, optogenetic stimulation,
    and augmented-reality displays.
author:
- first_name: Henna
  full_name: Farheen, Henna
  id: '53444'
  last_name: Farheen
  orcid: 0000-0001-7730-3489
- first_name: Andreas
  full_name: Strauch, Andreas
  last_name: Strauch
- first_name: J. Christoph
  full_name: Scheytt, J. Christoph
  id: '37144'
  last_name: Scheytt
  orcid: '0000-0002-5950-6618 '
- first_name: Viktor
  full_name: Myroshnychenko, Viktor
  id: '46371'
  last_name: Myroshnychenko
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
citation:
  ama: Farheen H, Strauch A, Scheytt JC, Myroshnychenko V, Förstner J. Optimized,
    Highly Efficient Silicon Antennas for Optical Phased Arrays. <i>Photonics and
    Nanostructures - Fundamentals and Applications</i>. 2023;58:101207. doi:<a href="https://doi.org/10.1016/j.photonics.2023.101207">10.1016/j.photonics.2023.101207</a>
  apa: Farheen, H., Strauch, A., Scheytt, J. C., Myroshnychenko, V., &#38; Förstner,
    J. (2023). Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays.
    <i>Photonics and Nanostructures - Fundamentals and Applications</i>, <i>58</i>,
    101207. <a href="https://doi.org/10.1016/j.photonics.2023.101207">https://doi.org/10.1016/j.photonics.2023.101207</a>
  bibtex: '@article{Farheen_Strauch_Scheytt_Myroshnychenko_Förstner_2023, title={Optimized,
    Highly Efficient Silicon Antennas for Optical Phased Arrays}, volume={58}, DOI={<a
    href="https://doi.org/10.1016/j.photonics.2023.101207">10.1016/j.photonics.2023.101207</a>},
    journal={Photonics and Nanostructures - Fundamentals and Applications}, publisher={Elsevier
    BV}, author={Farheen, Henna and Strauch, Andreas and Scheytt, J. Christoph and
    Myroshnychenko, Viktor and Förstner, Jens}, year={2023}, pages={101207} }'
  chicago: 'Farheen, Henna, Andreas Strauch, J. Christoph Scheytt, Viktor Myroshnychenko,
    and Jens Förstner. “Optimized, Highly Efficient Silicon Antennas for Optical Phased
    Arrays.” <i>Photonics and Nanostructures - Fundamentals and Applications</i> 58
    (2023): 101207. <a href="https://doi.org/10.1016/j.photonics.2023.101207">https://doi.org/10.1016/j.photonics.2023.101207</a>.'
  ieee: 'H. Farheen, A. Strauch, J. C. Scheytt, V. Myroshnychenko, and J. Förstner,
    “Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays,” <i>Photonics
    and Nanostructures - Fundamentals and Applications</i>, vol. 58, p. 101207, 2023,
    doi: <a href="https://doi.org/10.1016/j.photonics.2023.101207">10.1016/j.photonics.2023.101207</a>.'
  mla: Farheen, Henna, et al. “Optimized, Highly Efficient Silicon Antennas for Optical
    Phased Arrays.” <i>Photonics and Nanostructures - Fundamentals and Applications</i>,
    vol. 58, Elsevier BV, 2023, p. 101207, doi:<a href="https://doi.org/10.1016/j.photonics.2023.101207">10.1016/j.photonics.2023.101207</a>.
  short: H. Farheen, A. Strauch, J.C. Scheytt, V. Myroshnychenko, J. Förstner, Photonics
    and Nanostructures - Fundamentals and Applications 58 (2023) 101207.
date_created: 2023-12-21T09:30:03Z
date_updated: 2024-07-22T07:44:33Z
ddc:
- '530'
department:
- _id: '61'
- _id: '230'
- _id: '429'
- _id: '58'
doi: 10.1016/j.photonics.2023.101207
file:
- access_level: open_access
  content_type: application/pdf
  creator: fossie
  date_created: 2023-12-21T09:34:17Z
  date_updated: 2023-12-21T09:34:17Z
  file_id: '50013'
  file_name: 2ß23-12 Farheen - PNFA - Optimized, highly efficient silicon antennas
    for optical phased arrays.pdf
  file_size: 3339442
  relation: main_file
file_date_updated: 2023-12-21T09:34:17Z
has_accepted_license: '1'
intvolume: '        58'
keyword:
- tet_topic_opticalantenna
language:
- iso: eng
oa: '1'
page: '101207'
project:
- _id: '266'
  grant_number: PROFILNRW-2020-067
  name: 'PhoQC: PhoQC: Photonisches Quantencomputing'
- _id: '167'
  grant_number: '231447078'
  name: 'TRR 142 - B06: TRR 142 - Ultraschnelle kohärente opto-elektronische Kontrolle
    eines photonischen Quantensystems (B06*)'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Photonics and Nanostructures - Fundamentals and Applications
publication_identifier:
  issn:
  - 1569-4410
publication_status: published
publisher: Elsevier BV
related_material:
  link:
  - relation: research_data
    url: https://doi.org/10.5281/zenodo.10044122
status: public
title: Optimized, Highly Efficient Silicon Antennas for Optical Phased Arrays
type: journal_article
user_id: '158'
volume: 58
year: '2023'
...
---
_id: '43245'
abstract:
- lang: eng
  text: High-contrast slab waveguide Bragg gratings with 1D periodicity are investigated.
    For specific oblique excitation by semi-guided waves at sufficiently high angles
    of incidence, the idealized structures do not exhibit any radiative losses, such
    that reflectance and transmittance for the single port mode add strictly up to
    one. We consider a series of symmetric, fully and partly etched finite gratings,
    for parameters found in integrated silicon photonics. These can act as spectral
    filters with a reasonably flattop response. Apodization can lead to more box shaped
    reflectance and transmittance spectra. Together with a narrowband Fabry–Perot
    filter, these configurations are characterized by reflection bands, or transmittance
    peaks, with widths that span three orders of magnitude.
author:
- first_name: Manfred
  full_name: Hammer, Manfred
  id: '48077'
  last_name: Hammer
  orcid: 0000-0002-6331-9348
- first_name: Henna
  full_name: Farheen, Henna
  id: '53444'
  last_name: Farheen
  orcid: 0000-0001-7730-3489
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
citation:
  ama: Hammer M, Farheen H, Förstner J. How to suppress radiative losses in high-contrast
    integrated Bragg gratings. <i>Journal of the Optical Society of America B</i>.
    2023;40(4):862. doi:<a href="https://doi.org/10.1364/josab.485725">10.1364/josab.485725</a>
  apa: Hammer, M., Farheen, H., &#38; Förstner, J. (2023). How to suppress radiative
    losses in high-contrast integrated Bragg gratings. <i>Journal of the Optical Society
    of America B</i>, <i>40</i>(4), 862. <a href="https://doi.org/10.1364/josab.485725">https://doi.org/10.1364/josab.485725</a>
  bibtex: '@article{Hammer_Farheen_Förstner_2023, title={How to suppress radiative
    losses in high-contrast integrated Bragg gratings}, volume={40}, DOI={<a href="https://doi.org/10.1364/josab.485725">10.1364/josab.485725</a>},
    number={4}, journal={Journal of the Optical Society of America B}, publisher={Optica
    Publishing Group}, author={Hammer, Manfred and Farheen, Henna and Förstner, Jens},
    year={2023}, pages={862} }'
  chicago: 'Hammer, Manfred, Henna Farheen, and Jens Förstner. “How to Suppress Radiative
    Losses in High-Contrast Integrated Bragg Gratings.” <i>Journal of the Optical
    Society of America B</i> 40, no. 4 (2023): 862. <a href="https://doi.org/10.1364/josab.485725">https://doi.org/10.1364/josab.485725</a>.'
  ieee: 'M. Hammer, H. Farheen, and J. Förstner, “How to suppress radiative losses
    in high-contrast integrated Bragg gratings,” <i>Journal of the Optical Society
    of America B</i>, vol. 40, no. 4, p. 862, 2023, doi: <a href="https://doi.org/10.1364/josab.485725">10.1364/josab.485725</a>.'
  mla: Hammer, Manfred, et al. “How to Suppress Radiative Losses in High-Contrast
    Integrated Bragg Gratings.” <i>Journal of the Optical Society of America B</i>,
    vol. 40, no. 4, Optica Publishing Group, 2023, p. 862, doi:<a href="https://doi.org/10.1364/josab.485725">10.1364/josab.485725</a>.
  short: M. Hammer, H. Farheen, J. Förstner, Journal of the Optical Society of America
    B 40 (2023) 862.
date_created: 2023-03-31T13:04:43Z
date_updated: 2024-07-22T07:44:38Z
ddc:
- '530'
department:
- _id: '61'
- _id: '230'
- _id: '429'
doi: 10.1364/josab.485725
file:
- access_level: open_access
  content_type: application/pdf
  creator: fossie
  date_created: 2023-03-31T13:14:59Z
  date_updated: 2023-03-31T13:14:59Z
  file_id: '43247'
  file_name: ogr-afterreview.pdf
  file_size: 1982311
  relation: main_file
file_date_updated: 2023-03-31T13:14:59Z
has_accepted_license: '1'
intvolume: '        40'
issue: '4'
keyword:
- tet_topic_waveguide
language:
- iso: eng
oa: '1'
page: '862'
project:
- _id: '53'
  grant_number: '231447078'
  name: 'TRR 142: TRR 142'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '167'
  grant_number: '231447078'
  name: 'TRR 142 - B06: TRR 142 - Subproject B06'
publication: Journal of the Optical Society of America B
publication_identifier:
  issn:
  - 0740-3224
  - 1520-8540
publication_status: published
publisher: Optica Publishing Group
status: public
title: How to suppress radiative losses in high-contrast integrated Bragg gratings
type: journal_article
user_id: '158'
volume: 40
year: '2023'
...
