---
_id: '54867'
abstract:
- lang: eng
  text: "<jats:p>\r\nArtificial leaves could be the breakthrough technology to overcome
    the limitations of storage and mobility through the synthesis of chemical fuels
    from sunlight, which will be an essential component of a sustainable future energy
    system. However, the realization of efficient solar‐driven artificial leaf structures
    requires integrated specialized materials such as semiconductor absorbers, catalysts,
    interfacial passivation, and contact layers. To date, no competitive system has
    emerged due to a lack of scientific understanding, knowledge‐based design rules,
    and scalable engineering strategies. Herein, competitive artificial leaf devices
    for water splitting, focusing on multiabsorber structures to achieve solar‐to‐hydrogen
    conversion efficiencies exceeding 15%, are discussed. A key challenge is integrating
    photovoltaic and electrochemical functionalities in a single device. Additionally,
    optimal electrocatalysts for intermittent operation at photocurrent densities
    of 10–20 mA cm<jats:sup>−2</jats:sup> must be immobilized on the absorbers with
    specifically designed interfacial passivation and contact layers, so‐called buried
    junctions. This minimizes voltage and current losses and prevents corrosive side
    reactions. Key challenges include understanding elementary steps, identifying
    suitable materials, and developing synthesis and processing techniques for all
    integrated components. This is crucial for efficient, robust, and scalable devices.
    Herein, corresponding research efforts to produce green hydrogen with unassisted
    solar‐driven (photo‐)electrochemical devices are discussed and reported.</jats:p>"
author:
- first_name: Thomas
  full_name: Hannappel, Thomas
  last_name: Hannappel
- first_name: Sahar
  full_name: Shekarabi, Sahar
  last_name: Shekarabi
- first_name: Wolfram
  full_name: Jaegermann, Wolfram
  last_name: Jaegermann
- first_name: Erich
  full_name: Runge, Erich
  last_name: Runge
- first_name: Jan Philipp
  full_name: Hofmann, Jan Philipp
  last_name: Hofmann
- first_name: Roel
  full_name: van de Krol, Roel
  last_name: van de Krol
- first_name: Matthias M.
  full_name: May, Matthias M.
  last_name: May
- first_name: Agnieszka
  full_name: Paszuk, Agnieszka
  last_name: Paszuk
- first_name: Franziska
  full_name: Hess, Franziska
  last_name: Hess
- first_name: Arno
  full_name: Bergmann, Arno
  last_name: Bergmann
- first_name: Andreas
  full_name: Bund, Andreas
  last_name: Bund
- first_name: Christian
  full_name: Cierpka, Christian
  last_name: Cierpka
- first_name: Christian
  full_name: Dreßler, Christian
  last_name: Dreßler
- first_name: Fabio
  full_name: Dionigi, Fabio
  last_name: Dionigi
- first_name: Dennis
  full_name: Friedrich, Dennis
  last_name: Friedrich
- first_name: Marco
  full_name: Favaro, Marco
  last_name: Favaro
- first_name: Stefan
  full_name: Krischok, Stefan
  last_name: Krischok
- first_name: Mario
  full_name: Kurniawan, Mario
  last_name: Kurniawan
- first_name: Kathy
  full_name: Lüdge, Kathy
  last_name: Lüdge
- first_name: Yong
  full_name: Lei, Yong
  last_name: Lei
- first_name: Beatriz
  full_name: Roldán Cuenya, Beatriz
  last_name: Roldán Cuenya
- first_name: Peter
  full_name: Schaaf, Peter
  last_name: Schaaf
- first_name: Rüdiger
  full_name: Schmidt‐Grund, Rüdiger
  last_name: Schmidt‐Grund
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Peter
  full_name: Strasser, Peter
  last_name: Strasser
- first_name: Eva
  full_name: Unger, Eva
  last_name: Unger
- first_name: Manuel F.
  full_name: Vasquez Montoya, Manuel F.
  last_name: Vasquez Montoya
- first_name: Dong
  full_name: Wang, Dong
  last_name: Wang
- first_name: Hongbin
  full_name: Zhang, Hongbin
  last_name: Zhang
citation:
  ama: 'Hannappel T, Shekarabi S, Jaegermann W, et al. Integration of Multijunction
    Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures:
    A Physical and Materials Science Perspective. <i>Solar RRL</i>. 2024;8(11). doi:<a
    href="https://doi.org/10.1002/solr.202301047">10.1002/solr.202301047</a>'
  apa: 'Hannappel, T., Shekarabi, S., Jaegermann, W., Runge, E., Hofmann, J. P., van
    de Krol, R., May, M. M., Paszuk, A., Hess, F., Bergmann, A., Bund, A., Cierpka,
    C., Dreßler, C., Dionigi, F., Friedrich, D., Favaro, M., Krischok, S., Kurniawan,
    M., Lüdge, K., … Zhang, H. (2024). Integration of Multijunction Absorbers and
    Catalysts for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and
    Materials Science Perspective. <i>Solar RRL</i>, <i>8</i>(11). <a href="https://doi.org/10.1002/solr.202301047">https://doi.org/10.1002/solr.202301047</a>'
  bibtex: '@article{Hannappel_Shekarabi_Jaegermann_Runge_Hofmann_van de Krol_May_Paszuk_Hess_Bergmann_et
    al._2024, title={Integration of Multijunction Absorbers and Catalysts for Efficient
    Solar‐Driven Artificial Leaf Structures: A Physical and Materials Science Perspective},
    volume={8}, DOI={<a href="https://doi.org/10.1002/solr.202301047">10.1002/solr.202301047</a>},
    number={11}, journal={Solar RRL}, publisher={Wiley}, author={Hannappel, Thomas
    and Shekarabi, Sahar and Jaegermann, Wolfram and Runge, Erich and Hofmann, Jan
    Philipp and van de Krol, Roel and May, Matthias M. and Paszuk, Agnieszka and Hess,
    Franziska and Bergmann, Arno and et al.}, year={2024} }'
  chicago: 'Hannappel, Thomas, Sahar Shekarabi, Wolfram Jaegermann, Erich Runge, Jan
    Philipp Hofmann, Roel van de Krol, Matthias M. May, et al. “Integration of Multijunction
    Absorbers and Catalysts for Efficient Solar‐Driven Artificial Leaf Structures:
    A Physical and Materials Science Perspective.” <i>Solar RRL</i> 8, no. 11 (2024).
    <a href="https://doi.org/10.1002/solr.202301047">https://doi.org/10.1002/solr.202301047</a>.'
  ieee: 'T. Hannappel <i>et al.</i>, “Integration of Multijunction Absorbers and Catalysts
    for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials
    Science Perspective,” <i>Solar RRL</i>, vol. 8, no. 11, 2024, doi: <a href="https://doi.org/10.1002/solr.202301047">10.1002/solr.202301047</a>.'
  mla: 'Hannappel, Thomas, et al. “Integration of Multijunction Absorbers and Catalysts
    for Efficient Solar‐Driven Artificial Leaf Structures: A Physical and Materials
    Science Perspective.” <i>Solar RRL</i>, vol. 8, no. 11, Wiley, 2024, doi:<a href="https://doi.org/10.1002/solr.202301047">10.1002/solr.202301047</a>.'
  short: T. Hannappel, S. Shekarabi, W. Jaegermann, E. Runge, J.P. Hofmann, R. van
    de Krol, M.M. May, A. Paszuk, F. Hess, A. Bergmann, A. Bund, C. Cierpka, C. Dreßler,
    F. Dionigi, D. Friedrich, M. Favaro, S. Krischok, M. Kurniawan, K. Lüdge, Y. Lei,
    B. Roldán Cuenya, P. Schaaf, R. Schmidt‐Grund, W.G. Schmidt, P. Strasser, E. Unger,
    M.F. Vasquez Montoya, D. Wang, H. Zhang, Solar RRL 8 (2024).
date_created: 2024-06-24T09:44:41Z
date_updated: 2025-12-05T13:37:24Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '35'
doi: 10.1002/solr.202301047
intvolume: '         8'
issue: '11'
language:
- iso: eng
publication: Solar RRL
publication_identifier:
  issn:
  - 2367-198X
  - 2367-198X
publication_status: published
publisher: Wiley
status: public
title: 'Integration of Multijunction Absorbers and Catalysts for Efficient Solar‐Driven
  Artificial Leaf Structures: A Physical and Materials Science Perspective'
type: journal_article
user_id: '16199'
volume: 8
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: '60582'
abstract:
- lang: eng
  text: <jats:title>Abstract</jats:title><jats:p>The current efficiency records for
    generating green hydrogen via solar water splitting are held by indium phosphide
    (InP)‐based photo‐absorbers, protected by TiO<jats:sub>2</jats:sub> layers grown
    through atomic layer deposition (ALD). InP is also a leading material for photonic
    integrated circuits and computing, where ultrafast near‐surface behavior is key.
    A previous study described electronic pathways at the phosphorus‐rich (P‐rich)
    surface of p‐doped InP(100) using time‐resolved two‐photon photoemission (tr‐2PPE)
    spectroscopy. Here, the intricate electron pathways of the P‐rich InP surface
    modified with ALD‐deposited TiO<jats:sub>2</jats:sub> are explored. Photoexcited
    bulk InP electrons migrate through a bulk‐to‐surface transition cluster of states
    and surface states and inject into the TiO<jats:sub>2</jats:sub> conduction band
    (CB). Energy levels and occupation dynamics of CB states in P‐rich InP and TiO<jats:sub>2</jats:sub>
    adlayers are observed, with discrete states preserved up to 10 nm TiO<jats:sub>2</jats:sub>
    deposition. Thermalization lifetimes of excited electrons &gt; 0.8 eV above the
    InP conduction band minimum (CBM) are preserved for layer thicknesses up to 2.5 nm.
    Annealing at 300 °C to achieve crystalline TiO<jats:sub>2</jats:sub> reconstructions
    destroys interfacial states, affecting charge transfer. These observations enable
    innovative engineering of the P‐rich InP/TiO<jats:sub>2</jats:sub> heterointerface,
    opening new possibilities for studying hot‐carrier extraction, adsorbate effects,
    surface plasmons, and improving photovoltaic and PEC water‐splitting devices.</jats:p>
article_type: original
author:
- first_name: Jonathan
  full_name: Diederich, Jonathan
  last_name: Diederich
- first_name: Jennifer Velazquez
  full_name: Rojas, Jennifer Velazquez
  last_name: Rojas
- first_name: Agnieszka
  full_name: Paszuk, Agnieszka
  last_name: Paszuk
- first_name: Mohammad Amin Zare
  full_name: Pour, Mohammad Amin Zare
  last_name: Pour
- first_name: Christian
  full_name: Höhn, Christian
  last_name: Höhn
- first_name: Isaac Azahel
  full_name: Ruiz Alvarado, Isaac Azahel
  id: '79462'
  last_name: Ruiz Alvarado
  orcid: 0000-0002-4710-1170
- 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
  full_name: van de Krol, Roel
  last_name: van de Krol
- first_name: Dennis
  full_name: Friedrich, Dennis
  last_name: Friedrich
citation:
  ama: Diederich J, Rojas JV, Paszuk A, et al. Ultrafast Electron Dynamics at the
    P‐rich Indium Phosphide/TiO<sub>2</sub> Interface. <i>Advanced Functional Materials</i>.
    2024;34(49). doi:<a href="https://doi.org/10.1002/adfm.202409455">10.1002/adfm.202409455</a>
  apa: Diederich, J., Rojas, J. V., Paszuk, A., Pour, M. A. Z., Höhn, C., Ruiz Alvarado,
    I. A., Schwarzburg, K., Ostheimer, D., Eichberger, R., Schmidt, W. G., Hannappel,
    T., van de Krol, R., &#38; Friedrich, D. (2024). Ultrafast Electron Dynamics at
    the P‐rich Indium Phosphide/TiO<sub>2</sub> Interface. <i>Advanced Functional
    Materials</i>, <i>34</i>(49). <a href="https://doi.org/10.1002/adfm.202409455">https://doi.org/10.1002/adfm.202409455</a>
  bibtex: '@article{Diederich_Rojas_Paszuk_Pour_Höhn_Ruiz Alvarado_Schwarzburg_Ostheimer_Eichberger_Schmidt_et
    al._2024, title={Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO<sub>2</sub>
    Interface}, volume={34}, DOI={<a href="https://doi.org/10.1002/adfm.202409455">10.1002/adfm.202409455</a>},
    number={49}, journal={Advanced Functional Materials}, publisher={Wiley}, author={Diederich,
    Jonathan and Rojas, Jennifer Velazquez and Paszuk, Agnieszka and Pour, Mohammad
    Amin Zare and Höhn, Christian and Ruiz Alvarado, Isaac Azahel and Schwarzburg,
    Klaus and Ostheimer, David and Eichberger, Rainer and Schmidt, Wolf Gero and et
    al.}, year={2024} }'
  chicago: Diederich, Jonathan, Jennifer Velazquez Rojas, Agnieszka Paszuk, Mohammad
    Amin Zare Pour, Christian Höhn, Isaac Azahel Ruiz Alvarado, Klaus Schwarzburg,
    et al. “Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO<sub>2</sub>
    Interface.” <i>Advanced Functional Materials</i> 34, no. 49 (2024). <a href="https://doi.org/10.1002/adfm.202409455">https://doi.org/10.1002/adfm.202409455</a>.
  ieee: 'J. Diederich <i>et al.</i>, “Ultrafast Electron Dynamics at the P‐rich Indium
    Phosphide/TiO<sub>2</sub> Interface,” <i>Advanced Functional Materials</i>, vol.
    34, no. 49, 2024, doi: <a href="https://doi.org/10.1002/adfm.202409455">10.1002/adfm.202409455</a>.'
  mla: Diederich, Jonathan, et al. “Ultrafast Electron Dynamics at the P‐rich Indium
    Phosphide/TiO<sub>2</sub> Interface.” <i>Advanced Functional Materials</i>, vol.
    34, no. 49, Wiley, 2024, doi:<a href="https://doi.org/10.1002/adfm.202409455">10.1002/adfm.202409455</a>.
  short: J. Diederich, J.V. Rojas, A. Paszuk, M.A.Z. Pour, C. Höhn, I.A. Ruiz Alvarado,
    K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G. Schmidt, T. Hannappel, R. van
    de Krol, D. Friedrich, Advanced Functional Materials 34 (2024).
date_created: 2025-07-09T13:47:37Z
date_updated: 2025-12-05T13:39:54Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '27'
- _id: '35'
doi: 10.1002/adfm.202409455
intvolume: '        34'
issue: '49'
language:
- iso: eng
publication: Advanced Functional Materials
publication_identifier:
  issn:
  - 1616-301X
  - 1616-3028
publication_status: published
publisher: Wiley
status: public
title: Ultrafast Electron Dynamics at the P‐rich Indium Phosphide/TiO<sub>2</sub>
  Interface
type: journal_article
user_id: '16199'
volume: 34
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: '54866'
author:
- first_name: Jonathan
  full_name: Diederich, Jonathan
  last_name: Diederich
- first_name: Jennifer
  full_name: Velasquez Rojas, Jennifer
  last_name: Velasquez Rojas
- first_name: Mohammad Amin
  full_name: Zare Pour, Mohammad Amin
  last_name: Zare Pour
- first_name: Isaac Azahel
  full_name: Ruiz Alvarado, Isaac Azahel
  id: '79462'
  last_name: Ruiz Alvarado
  orcid: 0000-0002-4710-1170
- first_name: Agnieszka
  full_name: Paszuk, Agnieszka
  last_name: Paszuk
- first_name: Rachele
  full_name: Sciotto, Rachele
  last_name: Sciotto
- first_name: Christian
  full_name: Höhn, Christian
  last_name: Höhn
- 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
  full_name: van de Krol, Roel
  last_name: van de Krol
- first_name: Dennis
  full_name: Friedrich, Dennis
  last_name: Friedrich
citation:
  ama: 'Diederich J, Velasquez Rojas J, Zare Pour MA, et al. Unraveling Electron Dynamics
    in p-type Indium Phosphide (100): A Time-Resolved Two-Photon Photoemission Study.
    <i>Journal of the American Chemical Society</i>. 2024;146(13):8949-8960. doi:<a
    href="https://doi.org/10.1021/jacs.3c12487">10.1021/jacs.3c12487</a>'
  apa: 'Diederich, J., Velasquez Rojas, J., Zare Pour, M. A., Ruiz Alvarado, I. A.,
    Paszuk, A., Sciotto, R., Höhn, C., Schwarzburg, K., Ostheimer, D., Eichberger,
    R., Schmidt, W. G., Hannappel, T., van de Krol, R., &#38; Friedrich, D. (2024).
    Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved
    Two-Photon Photoemission Study. <i>Journal of the American Chemical Society</i>,
    <i>146</i>(13), 8949–8960. <a href="https://doi.org/10.1021/jacs.3c12487">https://doi.org/10.1021/jacs.3c12487</a>'
  bibtex: '@article{Diederich_Velasquez Rojas_Zare Pour_Ruiz Alvarado_Paszuk_Sciotto_Höhn_Schwarzburg_Ostheimer_Eichberger_et
    al._2024, title={Unraveling Electron Dynamics in p-type Indium Phosphide (100):
    A Time-Resolved Two-Photon Photoemission Study}, volume={146}, DOI={<a href="https://doi.org/10.1021/jacs.3c12487">10.1021/jacs.3c12487</a>},
    number={13}, journal={Journal of the American Chemical Society}, publisher={American
    Chemical Society (ACS)}, author={Diederich, Jonathan and Velasquez Rojas, Jennifer
    and Zare Pour, Mohammad Amin and Ruiz Alvarado, Isaac Azahel and Paszuk, Agnieszka
    and Sciotto, Rachele and Höhn, Christian and Schwarzburg, Klaus and Ostheimer,
    David and Eichberger, Rainer and et al.}, year={2024}, pages={8949–8960} }'
  chicago: 'Diederich, Jonathan, Jennifer Velasquez Rojas, Mohammad Amin Zare Pour,
    Isaac Azahel Ruiz Alvarado, Agnieszka Paszuk, Rachele Sciotto, Christian Höhn,
    et al. “Unraveling Electron Dynamics in P-Type Indium Phosphide (100): A Time-Resolved
    Two-Photon Photoemission Study.” <i>Journal of the American Chemical Society</i>
    146, no. 13 (2024): 8949–60. <a href="https://doi.org/10.1021/jacs.3c12487">https://doi.org/10.1021/jacs.3c12487</a>.'
  ieee: 'J. Diederich <i>et al.</i>, “Unraveling Electron Dynamics in p-type Indium
    Phosphide (100): A Time-Resolved Two-Photon Photoemission Study,” <i>Journal of
    the American Chemical Society</i>, vol. 146, no. 13, pp. 8949–8960, 2024, doi:
    <a href="https://doi.org/10.1021/jacs.3c12487">10.1021/jacs.3c12487</a>.'
  mla: 'Diederich, Jonathan, et al. “Unraveling Electron Dynamics in P-Type Indium
    Phosphide (100): A Time-Resolved Two-Photon Photoemission Study.” <i>Journal of
    the American Chemical Society</i>, vol. 146, no. 13, American Chemical Society
    (ACS), 2024, pp. 8949–60, doi:<a href="https://doi.org/10.1021/jacs.3c12487">10.1021/jacs.3c12487</a>.'
  short: J. Diederich, J. Velasquez Rojas, M.A. Zare Pour, I.A. Ruiz Alvarado, A.
    Paszuk, R. Sciotto, C. Höhn, K. Schwarzburg, D. Ostheimer, R. Eichberger, W.G.
    Schmidt, T. Hannappel, R. van de Krol, D. Friedrich, Journal of the American Chemical
    Society 146 (2024) 8949–8960.
date_created: 2024-06-24T09:42:46Z
date_updated: 2025-12-05T13:37:59Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '27'
- _id: '35'
doi: 10.1021/jacs.3c12487
intvolume: '       146'
issue: '13'
language:
- iso: eng
page: 8949-8960
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of the American Chemical Society
publication_identifier:
  issn:
  - 0002-7863
  - 1520-5126
publication_status: published
publisher: American Chemical Society (ACS)
status: public
title: 'Unraveling Electron Dynamics in p-type Indium Phosphide (100): A Time-Resolved
  Two-Photon Photoemission Study'
type: journal_article
user_id: '16199'
volume: 146
year: '2024'
...
---
_id: '54855'
abstract:
- lang: eng
  text: <jats:p>Density-functional theory calculations on P-rich InP(001):H surfaces
    are presented. Depending on temperature, pressure and substrate doping, hydrogen
    desorption or adsorption will occur and influence the surface electronic properties.
    For p-doped samples, the charge transition levels of the P dangling bond defects
    resulting from H desorption will lead to Fermi level pinning in the lower half
    of the band gap. This explains recent experimental data. For n-doped substrates,
    H-deficient surfaces are the ground-state structure. This will lead to Fermi level
    pinning below the bulk conduction band minimum. Surface defects resulting from
    the adsorption of additional hydrogen can be expected as well, but affect the
    surface electronic properties less than H desorption.</jats:p>
author:
- first_name: Rachele
  full_name: Sciotto, Rachele
  last_name: Sciotto
- first_name: Isaac Azahel
  full_name: Ruiz Alvarado, Isaac Azahel
  id: '79462'
  last_name: Ruiz Alvarado
  orcid: 0000-0002-4710-1170
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Sciotto R, Ruiz Alvarado IA, Schmidt WG. Substrate Doping and Defect Influence
    on P-Rich InP(001):H Surface Properties. <i>Surfaces</i>. 2024;7(1):79-87. doi:<a
    href="https://doi.org/10.3390/surfaces7010006">10.3390/surfaces7010006</a>
  apa: Sciotto, R., Ruiz Alvarado, I. A., &#38; Schmidt, W. G. (2024). Substrate Doping
    and Defect Influence on P-Rich InP(001):H Surface Properties. <i>Surfaces</i>,
    <i>7</i>(1), 79–87. <a href="https://doi.org/10.3390/surfaces7010006">https://doi.org/10.3390/surfaces7010006</a>
  bibtex: '@article{Sciotto_Ruiz Alvarado_Schmidt_2024, title={Substrate Doping and
    Defect Influence on P-Rich InP(001):H Surface Properties}, volume={7}, DOI={<a
    href="https://doi.org/10.3390/surfaces7010006">10.3390/surfaces7010006</a>}, number={1},
    journal={Surfaces}, publisher={MDPI AG}, author={Sciotto, Rachele and Ruiz Alvarado,
    Isaac Azahel and Schmidt, Wolf Gero}, year={2024}, pages={79–87} }'
  chicago: 'Sciotto, Rachele, Isaac Azahel Ruiz Alvarado, and Wolf Gero Schmidt. “Substrate
    Doping and Defect Influence on P-Rich InP(001):H Surface Properties.” <i>Surfaces</i>
    7, no. 1 (2024): 79–87. <a href="https://doi.org/10.3390/surfaces7010006">https://doi.org/10.3390/surfaces7010006</a>.'
  ieee: 'R. Sciotto, I. A. Ruiz Alvarado, and W. G. Schmidt, “Substrate Doping and
    Defect Influence on P-Rich InP(001):H Surface Properties,” <i>Surfaces</i>, vol.
    7, no. 1, pp. 79–87, 2024, doi: <a href="https://doi.org/10.3390/surfaces7010006">10.3390/surfaces7010006</a>.'
  mla: Sciotto, Rachele, et al. “Substrate Doping and Defect Influence on P-Rich InP(001):H
    Surface Properties.” <i>Surfaces</i>, vol. 7, no. 1, MDPI AG, 2024, pp. 79–87,
    doi:<a href="https://doi.org/10.3390/surfaces7010006">10.3390/surfaces7010006</a>.
  short: R. Sciotto, I.A. Ruiz Alvarado, W.G. Schmidt, Surfaces 7 (2024) 79–87.
date_created: 2024-06-24T06:24:26Z
date_updated: 2025-12-05T13:36:19Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '27'
- _id: '35'
doi: 10.3390/surfaces7010006
intvolume: '         7'
issue: '1'
language:
- iso: eng
page: 79-87
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Surfaces
publication_identifier:
  issn:
  - 2571-9637
publication_status: published
publisher: MDPI AG
status: public
title: Substrate Doping and Defect Influence on P-Rich InP(001):H Surface Properties
type: journal_article
user_id: '16199'
volume: 7
year: '2024'
...
---
_id: '54869'
article_number: '100629'
author:
- first_name: H.
  full_name: Pfnür, H.
  last_name: Pfnür
- first_name: C.
  full_name: Tegenkamp, C.
  last_name: Tegenkamp
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: E.
  full_name: Jeckelmann, E.
  last_name: Jeckelmann
- first_name: M.
  full_name: Horn-von Hoegen, M.
  last_name: Horn-von Hoegen
- first_name: U.
  full_name: Bovensiepen, U.
  last_name: Bovensiepen
- first_name: N.
  full_name: Esser, N.
  last_name: Esser
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: M.
  full_name: Dähne, M.
  last_name: Dähne
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: F.
  full_name: Bechstedt, F.
  last_name: Bechstedt
- first_name: M.
  full_name: Bode, M.
  last_name: Bode
- first_name: R.
  full_name: Claessen, R.
  last_name: Claessen
- first_name: R.
  full_name: Ernstorfer, R.
  last_name: Ernstorfer
- first_name: C.
  full_name: Hogan, C.
  last_name: Hogan
- first_name: M.
  full_name: Ligges, M.
  last_name: Ligges
- first_name: A.
  full_name: Pucci, A.
  last_name: Pucci
- first_name: J.
  full_name: Schäfer, J.
  last_name: Schäfer
- first_name: E.
  full_name: Speiser, E.
  last_name: Speiser
- first_name: M.
  full_name: Wolf, M.
  last_name: Wolf
- first_name: J.
  full_name: Wollschläger, J.
  last_name: Wollschläger
citation:
  ama: 'Pfnür H, Tegenkamp C, Sanna S, et al. Atomic wires on substrates: Physics
    between one and two dimensions. <i>Surface Science Reports</i>. 2024;79(2). doi:<a
    href="https://doi.org/10.1016/j.surfrep.2024.100629">10.1016/j.surfrep.2024.100629</a>'
  apa: 'Pfnür, H., Tegenkamp, C., Sanna, S., Jeckelmann, E., Horn-von Hoegen, M.,
    Bovensiepen, U., Esser, N., Schmidt, W. G., Dähne, M., Wippermann, S., Bechstedt,
    F., Bode, M., Claessen, R., Ernstorfer, R., Hogan, C., Ligges, M., Pucci, A.,
    Schäfer, J., Speiser, E., … Wollschläger, J. (2024). Atomic wires on substrates:
    Physics between one and two dimensions. <i>Surface Science Reports</i>, <i>79</i>(2),
    Article 100629. <a href="https://doi.org/10.1016/j.surfrep.2024.100629">https://doi.org/10.1016/j.surfrep.2024.100629</a>'
  bibtex: '@article{Pfnür_Tegenkamp_Sanna_Jeckelmann_Horn-von Hoegen_Bovensiepen_Esser_Schmidt_Dähne_Wippermann_et
    al._2024, title={Atomic wires on substrates: Physics between one and two dimensions},
    volume={79}, DOI={<a href="https://doi.org/10.1016/j.surfrep.2024.100629">10.1016/j.surfrep.2024.100629</a>},
    number={2100629}, journal={Surface Science Reports}, publisher={Elsevier BV},
    author={Pfnür, H. and Tegenkamp, C. and Sanna, S. and Jeckelmann, E. and Horn-von
    Hoegen, M. and Bovensiepen, U. and Esser, N. and Schmidt, Wolf Gero and Dähne,
    M. and Wippermann, S. and et al.}, year={2024} }'
  chicago: 'Pfnür, H., C. Tegenkamp, S. Sanna, E. Jeckelmann, M. Horn-von Hoegen,
    U. Bovensiepen, N. Esser, et al. “Atomic Wires on Substrates: Physics between
    One and Two Dimensions.” <i>Surface Science Reports</i> 79, no. 2 (2024). <a href="https://doi.org/10.1016/j.surfrep.2024.100629">https://doi.org/10.1016/j.surfrep.2024.100629</a>.'
  ieee: 'H. Pfnür <i>et al.</i>, “Atomic wires on substrates: Physics between one
    and two dimensions,” <i>Surface Science Reports</i>, vol. 79, no. 2, Art. no.
    100629, 2024, doi: <a href="https://doi.org/10.1016/j.surfrep.2024.100629">10.1016/j.surfrep.2024.100629</a>.'
  mla: 'Pfnür, H., et al. “Atomic Wires on Substrates: Physics between One and Two
    Dimensions.” <i>Surface Science Reports</i>, vol. 79, no. 2, 100629, Elsevier
    BV, 2024, doi:<a href="https://doi.org/10.1016/j.surfrep.2024.100629">10.1016/j.surfrep.2024.100629</a>.'
  short: H. Pfnür, C. Tegenkamp, S. Sanna, E. Jeckelmann, M. Horn-von Hoegen, U. Bovensiepen,
    N. Esser, W.G. Schmidt, M. Dähne, S. Wippermann, F. Bechstedt, M. Bode, R. Claessen,
    R. Ernstorfer, C. Hogan, M. Ligges, A. Pucci, J. Schäfer, E. Speiser, M. Wolf,
    J. Wollschläger, Surface Science Reports 79 (2024).
date_created: 2024-06-24T09:50:37Z
date_updated: 2025-12-05T13:36:47Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '27'
- _id: '35'
doi: 10.1016/j.surfrep.2024.100629
intvolume: '        79'
issue: '2'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Surface Science Reports
publication_identifier:
  issn:
  - 0167-5729
publication_status: published
publisher: Elsevier BV
status: public
title: 'Atomic wires on substrates: Physics between one and two dimensions'
type: journal_article
user_id: '16199'
volume: 79
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: '62868'
abstract:
- lang: eng
  text: <jats:p>We theoretically investigate strategies for the deterministic creation
    of trains of time-bin entangled photons using an individual quantum emitter described
    by a Λ-type electronic system. We explicitly demonstrate the theoretical generation
    of linear cluster states with substantial numbers of entangled photonic qubits
    in full microscopic numerical simulations. The underlying scheme is based on the
    manipulation of ground state coherences through precise optical driving. One important
    finding is that the most easily accessible quality metrics, the achievable rotation
    fidelities, fall short in assessing the actual quantum correlations of the emitted
    photons in the face of losses. To address this, we explicitly calculate stabilizer
    generator expectation values as a superior gauge for the quantum properties of
    the generated many-photon state. With widespread applicability in other emitter
    and excitation–emission schemes also, our work lays the conceptual foundations
    for an in-depth practical analysis of time-bin entanglement based on full numerical
    simulations with predictive capabilities for realistic systems and setups, including
    losses and imperfections. The specific results shown in the present work illustrate
    that with controlled minimization of losses and realistic system parameters for
    quantum-dot type systems, useful linear cluster states of significant lengths
    can be generated in the calculations, discussing the possibility of scalability
    for quantum information processing endeavors.</jats:p>
article_number: '036110'
author:
- first_name: David
  full_name: Bauch, David
  last_name: Bauch
- first_name: Nikolas
  full_name: Köcher, Nikolas
  id: '79191'
  last_name: Köcher
- first_name: Nils
  full_name: Heinisch, Nils
  id: '90283'
  last_name: Heinisch
  orcid: 0009-0006-0984-2097
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
citation:
  ama: Bauch D, Köcher N, Heinisch N, Schumacher S. Time-bin entanglement in the deterministic
    generation of linear photonic cluster states. <i>APL Quantum</i>. 2024;1(3). doi:<a
    href="https://doi.org/10.1063/5.0214197">10.1063/5.0214197</a>
  apa: Bauch, D., Köcher, N., Heinisch, N., &#38; Schumacher, S. (2024). Time-bin
    entanglement in the deterministic generation of linear photonic cluster states.
    <i>APL Quantum</i>, <i>1</i>(3), Article 036110. <a href="https://doi.org/10.1063/5.0214197">https://doi.org/10.1063/5.0214197</a>
  bibtex: '@article{Bauch_Köcher_Heinisch_Schumacher_2024, title={Time-bin entanglement
    in the deterministic generation of linear photonic cluster states}, volume={1},
    DOI={<a href="https://doi.org/10.1063/5.0214197">10.1063/5.0214197</a>}, number={3036110},
    journal={APL Quantum}, publisher={AIP Publishing}, author={Bauch, David and Köcher,
    Nikolas and Heinisch, Nils and Schumacher, Stefan}, year={2024} }'
  chicago: Bauch, David, Nikolas Köcher, Nils Heinisch, and Stefan Schumacher. “Time-Bin
    Entanglement in the Deterministic Generation of Linear Photonic Cluster States.”
    <i>APL Quantum</i> 1, no. 3 (2024). <a href="https://doi.org/10.1063/5.0214197">https://doi.org/10.1063/5.0214197</a>.
  ieee: 'D. Bauch, N. Köcher, N. Heinisch, and S. Schumacher, “Time-bin entanglement
    in the deterministic generation of linear photonic cluster states,” <i>APL Quantum</i>,
    vol. 1, no. 3, Art. no. 036110, 2024, doi: <a href="https://doi.org/10.1063/5.0214197">10.1063/5.0214197</a>.'
  mla: Bauch, David, et al. “Time-Bin Entanglement in the Deterministic Generation
    of Linear Photonic Cluster States.” <i>APL Quantum</i>, vol. 1, no. 3, 036110,
    AIP Publishing, 2024, doi:<a href="https://doi.org/10.1063/5.0214197">10.1063/5.0214197</a>.
  short: D. Bauch, N. Köcher, N. Heinisch, S. Schumacher, APL Quantum 1 (2024).
date_created: 2025-12-04T12:35:53Z
date_updated: 2025-12-05T13:55:00Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '705'
- _id: '35'
- _id: '27'
- _id: '429'
- _id: '230'
- _id: '623'
doi: 10.1063/5.0214197
intvolume: '         1'
issue: '3'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '173'
  name: 'TRR 142; TP C09: Ideale Erzeugung von Photonenpaaren für Verschränkungsaustausch
    bei Telekom Wellenlängen'
- _id: '266'
  name: 'PhoQC: Photonisches Quantencomputing'
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
- _id: '56'
  name: TRR 142 - Project Area C
publication: APL Quantum
publication_identifier:
  issn:
  - 2835-0103
publication_status: published
publisher: AIP Publishing
status: public
title: Time-bin entanglement in the deterministic generation of linear photonic cluster
  states
type: journal_article
user_id: '16199'
volume: 1
year: '2024'
...
---
_id: '49117'
article_number: '043158'
author:
- first_name: D.
  full_name: Scharwald, D.
  last_name: Scharwald
- first_name: T.
  full_name: Meier, T.
  last_name: Meier
- first_name: P. R.
  full_name: Sharapova, P. R.
  last_name: Sharapova
citation:
  ama: Scharwald D, Meier T, Sharapova PR. Phase sensitivity of spatially broadband
    high-gain &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:mrow&#62;&#60;mml:mi&#62;SU&#60;/mml:mi&#62;&#60;mml:mo&#62;(&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo&#62;,&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo&#62;)&#60;/mml:mo&#62;&#60;/mml:mrow&#62;&#60;/mml:math&#62;
    interferometers. <i>Physical Review Research</i>. 2023;5(4). doi:<a href="https://doi.org/10.1103/physrevresearch.5.043158">10.1103/physrevresearch.5.043158</a>
  apa: Scharwald, D., Meier, T., &#38; Sharapova, P. R. (2023). Phase sensitivity
    of spatially broadband high-gain &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:mrow&#62;&#60;mml:mi&#62;SU&#60;/mml:mi&#62;&#60;mml:mo&#62;(&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo&#62;,&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo&#62;)&#60;/mml:mo&#62;&#60;/mml:mrow&#62;&#60;/mml:math&#62;
    interferometers. <i>Physical Review Research</i>, <i>5</i>(4), Article 043158.
    <a href="https://doi.org/10.1103/physrevresearch.5.043158">https://doi.org/10.1103/physrevresearch.5.043158</a>
  bibtex: '@article{Scharwald_Meier_Sharapova_2023, title={Phase sensitivity of spatially
    broadband high-gain &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:mrow&#62;&#60;mml:mi&#62;SU&#60;/mml:mi&#62;&#60;mml:mo&#62;(&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo&#62;,&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo&#62;)&#60;/mml:mo&#62;&#60;/mml:mrow&#62;&#60;/mml:math&#62;
    interferometers}, volume={5}, DOI={<a href="https://doi.org/10.1103/physrevresearch.5.043158">10.1103/physrevresearch.5.043158</a>},
    number={4043158}, journal={Physical Review Research}, publisher={American Physical
    Society (APS)}, author={Scharwald, D. and Meier, T. and Sharapova, P. R.}, year={2023}
    }'
  chicago: Scharwald, D., T. Meier, and P. R. Sharapova. “Phase Sensitivity of Spatially
    Broadband High-Gain &#60;mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"&#62;&#60;mml:Mrow&#62;&#60;mml:Mi&#62;SU&#60;/Mml:Mi&#62;&#60;mml:Mo&#62;(&#60;/Mml:Mo&#62;&#60;mml:Mn&#62;1&#60;/Mml:Mn&#62;&#60;mml:Mo&#62;,&#60;/Mml:Mo&#62;&#60;mml:Mn&#62;1&#60;/Mml:Mn&#62;&#60;mml:Mo&#62;)&#60;/Mml:Mo&#62;&#60;/Mml:Mrow&#62;&#60;/Mml:Math&#62;
    Interferometers.” <i>Physical Review Research</i> 5, no. 4 (2023). <a href="https://doi.org/10.1103/physrevresearch.5.043158">https://doi.org/10.1103/physrevresearch.5.043158</a>.
  ieee: 'D. Scharwald, T. Meier, and P. R. Sharapova, “Phase sensitivity of spatially
    broadband high-gain &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:mrow&#62;&#60;mml:mi&#62;SU&#60;/mml:mi&#62;&#60;mml:mo&#62;(&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo&#62;,&#60;/mml:mo&#62;&#60;mml:mn&#62;1&#60;/mml:mn&#62;&#60;mml:mo&#62;)&#60;/mml:mo&#62;&#60;/mml:mrow&#62;&#60;/mml:math&#62;
    interferometers,” <i>Physical Review Research</i>, vol. 5, no. 4, Art. no. 043158,
    2023, doi: <a href="https://doi.org/10.1103/physrevresearch.5.043158">10.1103/physrevresearch.5.043158</a>.'
  mla: Scharwald, D., et al. “Phase Sensitivity of Spatially Broadband High-Gain &#60;mml:Math
    Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"&#62;&#60;mml:Mrow&#62;&#60;mml:Mi&#62;SU&#60;/Mml:Mi&#62;&#60;mml:Mo&#62;(&#60;/Mml:Mo&#62;&#60;mml:Mn&#62;1&#60;/Mml:Mn&#62;&#60;mml:Mo&#62;,&#60;/Mml:Mo&#62;&#60;mml:Mn&#62;1&#60;/Mml:Mn&#62;&#60;mml:Mo&#62;)&#60;/Mml:Mo&#62;&#60;/Mml:Mrow&#62;&#60;/Mml:Math&#62;
    Interferometers.” <i>Physical Review Research</i>, vol. 5, no. 4, 043158, American
    Physical Society (APS), 2023, doi:<a href="https://doi.org/10.1103/physrevresearch.5.043158">10.1103/physrevresearch.5.043158</a>.
  short: D. Scharwald, T. Meier, P.R. Sharapova, Physical Review Research 5 (2023).
date_created: 2023-11-22T09:18:02Z
date_updated: 2023-11-22T09:19:02Z
department:
- _id: '15'
- _id: '170'
- _id: '230'
- _id: '569'
- _id: '429'
doi: 10.1103/physrevresearch.5.043158
intvolume: '         5'
issue: '4'
keyword:
- General Physics and Astronomy
language:
- iso: eng
publication: Physical Review Research
publication_identifier:
  issn:
  - 2643-1564
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Phase sensitivity of spatially broadband high-gain <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi>SU</mml:mi><mml:mo>(</mml:mo><mml:mn>1</mml:mn><mml:mo>,</mml:mo><mml:mn>1</mml:mn><mml:mo>)</mml:mo></mml:mrow></mml:math>
  interferometers
type: journal_article
user_id: '60286'
volume: 5
year: '2023'
...
---
_id: '49634'
article_number: '045410'
author:
- first_name: Isaac Azahel
  full_name: Ruiz Alvarado, Isaac Azahel
  id: '79462'
  last_name: Ruiz Alvarado
  orcid: 0000-0002-4710-1170
- first_name: Mohammad Amin
  full_name: Zare Pour, Mohammad Amin
  last_name: Zare Pour
- first_name: Thomas
  full_name: Hannappel, Thomas
  last_name: Hannappel
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Ruiz Alvarado IA, Zare Pour MA, Hannappel T, Schmidt WG. Structural fingerprints
    in the reflectance anisotropy of AlInP(001). <i>Physical Review B</i>. 2023;108(4).
    doi:<a href="https://doi.org/10.1103/physrevb.108.045410">10.1103/physrevb.108.045410</a>
  apa: Ruiz Alvarado, I. A., Zare Pour, M. A., Hannappel, T., &#38; Schmidt, W. G.
    (2023). Structural fingerprints in the reflectance anisotropy of AlInP(001). <i>Physical
    Review B</i>, <i>108</i>(4), Article 045410. <a href="https://doi.org/10.1103/physrevb.108.045410">https://doi.org/10.1103/physrevb.108.045410</a>
  bibtex: '@article{Ruiz Alvarado_Zare Pour_Hannappel_Schmidt_2023, title={Structural
    fingerprints in the reflectance anisotropy of AlInP(001)}, volume={108}, DOI={<a
    href="https://doi.org/10.1103/physrevb.108.045410">10.1103/physrevb.108.045410</a>},
    number={4045410}, journal={Physical Review B}, publisher={American Physical Society
    (APS)}, author={Ruiz Alvarado, Isaac Azahel and Zare Pour, Mohammad Amin and Hannappel,
    Thomas and Schmidt, Wolf Gero}, year={2023} }'
  chicago: Ruiz Alvarado, Isaac Azahel, Mohammad Amin Zare Pour, Thomas Hannappel,
    and Wolf Gero Schmidt. “Structural Fingerprints in the Reflectance Anisotropy
    of AlInP(001).” <i>Physical Review B</i> 108, no. 4 (2023). <a href="https://doi.org/10.1103/physrevb.108.045410">https://doi.org/10.1103/physrevb.108.045410</a>.
  ieee: 'I. A. Ruiz Alvarado, M. A. Zare Pour, T. Hannappel, and W. G. Schmidt, “Structural
    fingerprints in the reflectance anisotropy of AlInP(001),” <i>Physical Review
    B</i>, vol. 108, no. 4, Art. no. 045410, 2023, doi: <a href="https://doi.org/10.1103/physrevb.108.045410">10.1103/physrevb.108.045410</a>.'
  mla: Ruiz Alvarado, Isaac Azahel, et al. “Structural Fingerprints in the Reflectance
    Anisotropy of AlInP(001).” <i>Physical Review B</i>, vol. 108, no. 4, 045410,
    American Physical Society (APS), 2023, doi:<a href="https://doi.org/10.1103/physrevb.108.045410">10.1103/physrevb.108.045410</a>.
  short: I.A. Ruiz Alvarado, M.A. Zare Pour, T. Hannappel, W.G. Schmidt, Physical
    Review B 108 (2023).
date_created: 2023-12-14T12:10:58Z
date_updated: 2023-12-14T12:24:25Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
doi: 10.1103/physrevb.108.045410
intvolume: '       108'
issue: '4'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Structural fingerprints in the reflectance anisotropy of AlInP(001)
type: journal_article
user_id: '79462'
volume: 108
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: '52122'
article_number: '043152'
author:
- first_name: Usman
  full_name: Ali, Usman
  last_name: Ali
- first_name: Martin
  full_name: Holthaus, Martin
  last_name: Holthaus
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
citation:
  ama: Ali U, Holthaus M, Meier T. Chirped Bloch-harmonic oscillations in a parametrically
    forced optical lattice. <i>Physical Review Research</i>. 2023;5(4). doi:<a href="https://doi.org/10.1103/physrevresearch.5.043152">10.1103/physrevresearch.5.043152</a>
  apa: Ali, U., Holthaus, M., &#38; Meier, T. (2023). Chirped Bloch-harmonic oscillations
    in a parametrically forced optical lattice. <i>Physical Review Research</i>, <i>5</i>(4),
    Article 043152. <a href="https://doi.org/10.1103/physrevresearch.5.043152">https://doi.org/10.1103/physrevresearch.5.043152</a>
  bibtex: '@article{Ali_Holthaus_Meier_2023, title={Chirped Bloch-harmonic oscillations
    in a parametrically forced optical lattice}, volume={5}, DOI={<a href="https://doi.org/10.1103/physrevresearch.5.043152">10.1103/physrevresearch.5.043152</a>},
    number={4043152}, journal={Physical Review Research}, publisher={American Physical
    Society (APS)}, author={Ali, Usman and Holthaus, Martin and Meier, Torsten}, year={2023}
    }'
  chicago: Ali, Usman, Martin Holthaus, and Torsten Meier. “Chirped Bloch-Harmonic
    Oscillations in a Parametrically Forced Optical Lattice.” <i>Physical Review Research</i>
    5, no. 4 (2023). <a href="https://doi.org/10.1103/physrevresearch.5.043152">https://doi.org/10.1103/physrevresearch.5.043152</a>.
  ieee: 'U. Ali, M. Holthaus, and T. Meier, “Chirped Bloch-harmonic oscillations in
    a parametrically forced optical lattice,” <i>Physical Review Research</i>, vol.
    5, no. 4, Art. no. 043152, 2023, doi: <a href="https://doi.org/10.1103/physrevresearch.5.043152">10.1103/physrevresearch.5.043152</a>.'
  mla: Ali, Usman, et al. “Chirped Bloch-Harmonic Oscillations in a Parametrically
    Forced Optical Lattice.” <i>Physical Review Research</i>, vol. 5, no. 4, 043152,
    American Physical Society (APS), 2023, doi:<a href="https://doi.org/10.1103/physrevresearch.5.043152">10.1103/physrevresearch.5.043152</a>.
  short: U. Ali, M. Holthaus, T. Meier, Physical Review Research 5 (2023).
date_created: 2024-02-27T13:57:01Z
date_updated: 2024-02-28T12:53:40Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1103/physrevresearch.5.043152
intvolume: '         5'
issue: '4'
keyword:
- General Physics and Astronomy
language:
- iso: eng
publication: Physical Review Research
publication_identifier:
  issn:
  - 2643-1564
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Chirped Bloch-harmonic oscillations in a parametrically forced optical lattice
type: journal_article
user_id: '16199'
volume: 5
year: '2023'
...
---
_id: '54852'
abstract:
- lang: eng
  text: <jats:p>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.</jats:p>
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: 2024-06-24T06:15:00Z
date_updated: 2024-06-24T06:30:23Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '288'
- _id: '230'
- _id: '429'
doi: 10.3390/cryst13101423
intvolume: '        13'
issue: '10'
language:
- iso: eng
project:
- _id: '53'
  grant_number: '231447078'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
publication: Crystals
publication_identifier:
  issn:
  - 2073-4352
publication_status: published
publisher: MDPI AG
status: public
title: Vibrational Properties of the Potassium Titanyl Phosphate Crystal Family
type: journal_article
user_id: '16199'
volume: 13
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: '54853'
abstract:
- lang: eng
  text: <jats:p>The nitrogen-vacancy (NV) centers (NCVSi)− in 4H silicon carbide (SiC)
    constitute an ensemble of spin S = 1 solid state qubits interacting with the surrounding
    14N and 29Si nuclei. As quantum applications based on a polarization transfer
    from the electron spin to the nuclei require the knowledge of the electron–nuclear
    interaction parameters, we have used high-frequency (94 GHz) electron–nuclear
    double resonance spectroscopy combined with first-principles density functional
    theory to investigate the hyperfine and nuclear quadrupole interactions of the
    basal and axial NV centers. We observed that the four inequivalent NV configurations
    (hk, kh, hh, and kk) exhibit different electron–nuclear interaction parameters,
    suggesting that each NV center may act as a separate optically addressable qubit.
    Finally, we rationalized the observed differences in terms of distinctions in
    the local atomic structures of the NV configurations. Thus, our results provide
    the basic knowledge for an extension of quantum protocols involving the 14N nuclear
    spin.</jats:p>
author:
- first_name: F. F.
  full_name: Murzakhanov, F. F.
  last_name: Murzakhanov
- first_name: M. A.
  full_name: Sadovnikova, M. A.
  last_name: Sadovnikova
- first_name: G. V.
  full_name: Mamin, G. V.
  last_name: Mamin
- first_name: S. S.
  full_name: Nagalyuk, S. S.
  last_name: Nagalyuk
- first_name: H. J.
  full_name: von Bardeleben, H. J.
  last_name: von Bardeleben
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- 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: V. A.
  full_name: Soltamov, V. A.
  last_name: Soltamov
citation:
  ama: 'Murzakhanov FF, Sadovnikova MA, Mamin GV, et al. 14N Hyperfine and nuclear
    interactions of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz)
    ENDOR study. <i>Journal of Applied Physics</i>. 2023;134(12). doi:<a href="https://doi.org/10.1063/5.0170099">10.1063/5.0170099</a>'
  apa: 'Murzakhanov, F. F., Sadovnikova, M. A., Mamin, G. V., Nagalyuk, S. S., von
    Bardeleben, H. J., Schmidt, W. G., Biktagirov, T., Gerstmann, U., &#38; Soltamov,
    V. A. (2023). 14N Hyperfine and nuclear interactions of axial and basal NV centers
    in 4H-SiC: A high frequency (94 GHz) ENDOR study. <i>Journal of Applied Physics</i>,
    <i>134</i>(12). <a href="https://doi.org/10.1063/5.0170099">https://doi.org/10.1063/5.0170099</a>'
  bibtex: '@article{Murzakhanov_Sadovnikova_Mamin_Nagalyuk_von Bardeleben_Schmidt_Biktagirov_Gerstmann_Soltamov_2023,
    title={14N Hyperfine and nuclear interactions of axial and basal NV centers in
    4H-SiC: A high frequency (94 GHz) ENDOR study}, volume={134}, DOI={<a href="https://doi.org/10.1063/5.0170099">10.1063/5.0170099</a>},
    number={12}, journal={Journal of Applied Physics}, publisher={AIP Publishing},
    author={Murzakhanov, F. F. and Sadovnikova, M. A. and Mamin, G. V. and Nagalyuk,
    S. S. and von Bardeleben, H. J. and Schmidt, Wolf Gero and Biktagirov, Timur and
    Gerstmann, Uwe and Soltamov, V. A.}, year={2023} }'
  chicago: 'Murzakhanov, F. F., M. A. Sadovnikova, G. V. Mamin, S. S. Nagalyuk, H.
    J. von Bardeleben, Wolf Gero Schmidt, Timur Biktagirov, Uwe Gerstmann, and V.
    A. Soltamov. “14N Hyperfine and Nuclear Interactions of Axial and Basal NV Centers
    in 4H-SiC: A High Frequency (94 GHz) ENDOR Study.” <i>Journal of Applied Physics</i>
    134, no. 12 (2023). <a href="https://doi.org/10.1063/5.0170099">https://doi.org/10.1063/5.0170099</a>.'
  ieee: 'F. F. Murzakhanov <i>et al.</i>, “14N Hyperfine and nuclear interactions
    of axial and basal NV centers in 4H-SiC: A high frequency (94 GHz) ENDOR study,”
    <i>Journal of Applied Physics</i>, vol. 134, no. 12, 2023, doi: <a href="https://doi.org/10.1063/5.0170099">10.1063/5.0170099</a>.'
  mla: 'Murzakhanov, F. F., et al. “14N Hyperfine and Nuclear Interactions of Axial
    and Basal NV Centers in 4H-SiC: A High Frequency (94 GHz) ENDOR Study.” <i>Journal
    of Applied Physics</i>, vol. 134, no. 12, AIP Publishing, 2023, doi:<a href="https://doi.org/10.1063/5.0170099">10.1063/5.0170099</a>.'
  short: F.F. Murzakhanov, M.A. Sadovnikova, G.V. Mamin, S.S. Nagalyuk, H.J. von Bardeleben,
    W.G. Schmidt, T. Biktagirov, U. Gerstmann, V.A. Soltamov, Journal of Applied Physics
    134 (2023).
date_created: 2024-06-24T06:18:17Z
date_updated: 2024-06-24T06:30:19Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '27'
- _id: '230'
doi: 10.1063/5.0170099
intvolume: '       134'
issue: '12'
language:
- iso: eng
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Journal of Applied Physics
publication_identifier:
  issn:
  - 0021-8979
  - 1089-7550
publication_status: published
publisher: AIP Publishing
status: public
title: '14N Hyperfine and nuclear interactions of axial and basal NV centers in 4H-SiC:
  A high frequency (94 GHz) ENDOR study'
type: journal_article
user_id: '16199'
volume: 134
year: '2023'
...
---
_id: '54851'
abstract:
- lang: eng
  text: <jats:p>Composites of different graphene oxide types, TiO<jats:sub>2</jats:sub>
    materials, and especially synthetic routes influence the photocatalytic activity
    of the resulting material.</jats:p>
author:
- first_name: Marta
  full_name: Rosenthal, Marta
  last_name: Rosenthal
- first_name: Timur
  full_name: Biktagirov, Timur
  id: '65612'
  last_name: Biktagirov
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: René
  full_name: Wilhelm, René
  last_name: Wilhelm
citation:
  ama: Rosenthal M, Biktagirov T, Schmidt WG, Wilhelm R. Synthesis of new graphene
    oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> nanocomposites and their
    evaluation as photocatalysts. <i>Catalysis Science &#38;amp; Technology</i>. 2023;13(15):4367-4377.
    doi:<a href="https://doi.org/10.1039/d3cy00461a">10.1039/d3cy00461a</a>
  apa: Rosenthal, M., Biktagirov, T., Schmidt, W. G., &#38; Wilhelm, R. (2023). Synthesis
    of new graphene oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> nanocomposites
    and their evaluation as photocatalysts. <i>Catalysis Science &#38;amp; Technology</i>,
    <i>13</i>(15), 4367–4377. <a href="https://doi.org/10.1039/d3cy00461a">https://doi.org/10.1039/d3cy00461a</a>
  bibtex: '@article{Rosenthal_Biktagirov_Schmidt_Wilhelm_2023, title={Synthesis of
    new graphene oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> nanocomposites
    and their evaluation as photocatalysts}, volume={13}, DOI={<a href="https://doi.org/10.1039/d3cy00461a">10.1039/d3cy00461a</a>},
    number={15}, journal={Catalysis Science &#38;amp; Technology}, publisher={Royal
    Society of Chemistry (RSC)}, author={Rosenthal, Marta and Biktagirov, Timur and
    Schmidt, Wolf Gero and Wilhelm, René}, year={2023}, pages={4367–4377} }'
  chicago: 'Rosenthal, Marta, Timur Biktagirov, Wolf Gero Schmidt, and René Wilhelm.
    “Synthesis of New Graphene Oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub>
    Nanocomposites and Their Evaluation as Photocatalysts.” <i>Catalysis Science &#38;amp;
    Technology</i> 13, no. 15 (2023): 4367–77. <a href="https://doi.org/10.1039/d3cy00461a">https://doi.org/10.1039/d3cy00461a</a>.'
  ieee: 'M. Rosenthal, T. Biktagirov, W. G. Schmidt, and R. Wilhelm, “Synthesis of
    new graphene oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub> nanocomposites
    and their evaluation as photocatalysts,” <i>Catalysis Science &#38;amp; Technology</i>,
    vol. 13, no. 15, pp. 4367–4377, 2023, doi: <a href="https://doi.org/10.1039/d3cy00461a">10.1039/d3cy00461a</a>.'
  mla: Rosenthal, Marta, et al. “Synthesis of New Graphene Oxide/TiO<sub>2</sub> and
    TiO<sub>2</sub>/SiO<sub>2</sub> Nanocomposites and Their Evaluation as Photocatalysts.”
    <i>Catalysis Science &#38;amp; Technology</i>, vol. 13, no. 15, Royal Society
    of Chemistry (RSC), 2023, pp. 4367–77, doi:<a href="https://doi.org/10.1039/d3cy00461a">10.1039/d3cy00461a</a>.
  short: M. Rosenthal, T. Biktagirov, W.G. Schmidt, R. Wilhelm, Catalysis Science
    &#38;amp; Technology 13 (2023) 4367–4377.
date_created: 2024-06-24T06:12:50Z
date_updated: 2024-06-24T06:30:04Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '27'
- _id: '230'
doi: 10.1039/d3cy00461a
intvolume: '        13'
issue: '15'
language:
- iso: eng
page: 4367-4377
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Catalysis Science &amp; Technology
publication_identifier:
  issn:
  - 2044-4753
  - 2044-4761
publication_status: published
publisher: Royal Society of Chemistry (RSC)
status: public
title: Synthesis of new graphene oxide/TiO<sub>2</sub> and TiO<sub>2</sub>/SiO<sub>2</sub>
  nanocomposites and their evaluation as photocatalysts
type: journal_article
user_id: '16199'
volume: 13
year: '2023'
...
---
_id: '54850'
author:
- first_name: Lukas
  full_name: Meier, Lukas
  last_name: Meier
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Meier L, Schmidt WG. Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride
    Si(001) Surfaces: Interface Bonding and Electronic Properties. <i>The Journal
    of Physical Chemistry C</i>. 2023;127(4):1973-1980. doi:<a href="https://doi.org/10.1021/acs.jpcc.2c07316">10.1021/acs.jpcc.2c07316</a>'
  apa: 'Meier, L., &#38; Schmidt, W. G. (2023). Adsorption of Cyclic (Alkyl) (Amino)
    Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties.
    <i>The Journal of Physical Chemistry C</i>, <i>127</i>(4), 1973–1980. <a href="https://doi.org/10.1021/acs.jpcc.2c07316">https://doi.org/10.1021/acs.jpcc.2c07316</a>'
  bibtex: '@article{Meier_Schmidt_2023, title={Adsorption of Cyclic (Alkyl) (Amino)
    Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties},
    volume={127}, DOI={<a href="https://doi.org/10.1021/acs.jpcc.2c07316">10.1021/acs.jpcc.2c07316</a>},
    number={4}, journal={The Journal of Physical Chemistry C}, publisher={American
    Chemical Society (ACS)}, author={Meier, Lukas and Schmidt, Wolf Gero}, year={2023},
    pages={1973–1980} }'
  chicago: 'Meier, Lukas, and Wolf Gero Schmidt. “Adsorption of Cyclic (Alkyl) (Amino)
    Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties.”
    <i>The Journal of Physical Chemistry C</i> 127, no. 4 (2023): 1973–80. <a href="https://doi.org/10.1021/acs.jpcc.2c07316">https://doi.org/10.1021/acs.jpcc.2c07316</a>.'
  ieee: 'L. Meier and W. G. Schmidt, “Adsorption of Cyclic (Alkyl) (Amino) Carbenes
    on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties,”
    <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 4, pp. 1973–1980, 2023,
    doi: <a href="https://doi.org/10.1021/acs.jpcc.2c07316">10.1021/acs.jpcc.2c07316</a>.'
  mla: 'Meier, Lukas, and Wolf Gero Schmidt. “Adsorption of Cyclic (Alkyl) (Amino)
    Carbenes on Monohydride Si(001) Surfaces: Interface Bonding and Electronic Properties.”
    <i>The Journal of Physical Chemistry C</i>, vol. 127, no. 4, American Chemical
    Society (ACS), 2023, pp. 1973–80, doi:<a href="https://doi.org/10.1021/acs.jpcc.2c07316">10.1021/acs.jpcc.2c07316</a>.'
  short: L. Meier, W.G. Schmidt, The Journal of Physical Chemistry C 127 (2023) 1973–1980.
date_created: 2024-06-24T06:10:39Z
date_updated: 2024-06-24T06:30:35Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '27'
- _id: '230'
doi: 10.1021/acs.jpcc.2c07316
intvolume: '       127'
issue: '4'
language:
- iso: eng
page: 1973-1980
project:
- _id: '52'
  name: 'PC2: 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: 'Adsorption of Cyclic (Alkyl) (Amino) Carbenes on Monohydride Si(001) Surfaces:
  Interface Bonding and Electronic Properties'
type: journal_article
user_id: '16199'
volume: 127
year: '2023'
...
---
_id: '54407'
abstract:
- lang: eng
  text: Dataset of the publication "Quantum-optical excitations of semiconductor nanostructures
    in a microcavity using a two-band model and a single-mode quantum field" H. Rose,
    A. N. Vasil’ev, O. V. Tikhonova, T. Meier, and P. R. Sharapova, Phys. Rev. A <strong>107</strong>,
    013703 (2023). ( https://doi.org/10.1103/PhysRevA.107.013703 ). The zip file includes
    the data on which the plots shown in figures 1, 2, 3, 4, 5, 6, 7, 8, 9, 10, and
    11 are based.
author:
- first_name: Hendrik
  full_name: Rose, Hendrik
  id: '55958'
  last_name: Rose
  orcid: 0000-0002-3079-5428
- first_name: Andrey N.
  full_name: Vasil'ev, Andrey N.
  last_name: Vasil'ev
- first_name: Olga V.
  full_name: Tikhonova, Olga V.
  last_name: Tikhonova
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
- first_name: Polina
  full_name: Sharapova, Polina
  id: '60286'
  last_name: Sharapova
citation:
  ama: Rose H, Vasil’ev AN, Tikhonova OV, Meier T, Sharapova P. <i>Quantum-Optical
    Excitations of Semiconductor Nanostructures in a Microcavity Using a Two-Band
    Model and a Single-Mode Quantum Field</i>. LibreCat University; 2023. doi:<a href="https://doi.org/10.5281/ZENODO.7554556">10.5281/ZENODO.7554556</a>
  apa: Rose, H., Vasil’ev, A. N., Tikhonova, O. V., Meier, T., &#38; Sharapova, P.
    (2023). <i>Quantum-optical excitations of semiconductor nanostructures in a microcavity
    using a two-band model and a single-mode quantum field</i>. LibreCat University.
    <a href="https://doi.org/10.5281/ZENODO.7554556">https://doi.org/10.5281/ZENODO.7554556</a>
  bibtex: '@book{Rose_Vasil’ev_Tikhonova_Meier_Sharapova_2023, title={Quantum-optical
    excitations of semiconductor nanostructures in a microcavity using a two-band
    model and a single-mode quantum field}, DOI={<a href="https://doi.org/10.5281/ZENODO.7554556">10.5281/ZENODO.7554556</a>},
    publisher={LibreCat University}, author={Rose, Hendrik and Vasil’ev, Andrey N.
    and Tikhonova, Olga V. and Meier, Torsten and Sharapova, Polina}, year={2023}
    }'
  chicago: Rose, Hendrik, Andrey N. Vasil’ev, Olga V. Tikhonova, Torsten Meier, and
    Polina Sharapova. <i>Quantum-Optical Excitations of Semiconductor Nanostructures
    in a Microcavity Using a Two-Band Model and a Single-Mode Quantum Field</i>. LibreCat
    University, 2023. <a href="https://doi.org/10.5281/ZENODO.7554556">https://doi.org/10.5281/ZENODO.7554556</a>.
  ieee: H. Rose, A. N. Vasil’ev, O. V. Tikhonova, T. Meier, and P. Sharapova, <i>Quantum-optical
    excitations of semiconductor nanostructures in a microcavity using a two-band
    model and a single-mode quantum field</i>. LibreCat University, 2023.
  mla: Rose, Hendrik, et al. <i>Quantum-Optical Excitations of Semiconductor Nanostructures
    in a Microcavity Using a Two-Band Model and a Single-Mode Quantum Field</i>. LibreCat
    University, 2023, doi:<a href="https://doi.org/10.5281/ZENODO.7554556">10.5281/ZENODO.7554556</a>.
  short: H. Rose, A.N. Vasil’ev, O.V. Tikhonova, T. Meier, P. Sharapova, Quantum-Optical
    Excitations of Semiconductor Nanostructures in a Microcavity Using a Two-Band
    Model and a Single-Mode Quantum Field, LibreCat University, 2023.
date_created: 2024-05-21T14:34:35Z
date_updated: 2024-07-15T09:35:42Z
department:
- _id: '15'
- _id: '569'
- _id: '170'
- _id: '293'
- _id: '35'
- _id: '230'
doi: 10.5281/ZENODO.7554556
publisher: LibreCat University
status: public
title: Quantum-optical excitations of semiconductor nanostructures in a microcavity
  using a two-band model and a single-mode quantum field
type: research_data
user_id: '16199'
year: '2023'
...
---
_id: '54398'
abstract:
- lang: eng
  text: Dataset of the publication “Analysis of the nonlinear optical response of
    excitons in type-I and type-II quantum wells including many-body correlations”,
    A. Trautmann, M. Stein, F. Schäfer, D. Anders, C. Ngo, J. T. Steiner, M. Reichelt,
    S. Chatterjee, and T. Meier, Proc. SPIE 12419, Ultrafast Phenomena and Nanophotonics
    XXVII, 124190A (2023) ( https://doi.org/10.1117/12.2650169 ). The zip file includes
    the data on which the plots are based.
author:
- first_name: Alexander
  full_name: Trautmann, Alexander
  last_name: Trautmann
- first_name: Markus
  full_name: Stein, Markus
  last_name: Stein
- first_name: Felix
  full_name: Schäfer, Felix
  last_name: Schäfer
- first_name: Daniel
  full_name: Anders, Daniel
  last_name: Anders
- first_name: Cong
  full_name: Ngo, Cong
  last_name: Ngo
- first_name: Johannes Tilmann
  full_name: Steiner, Johannes Tilmann
  last_name: Steiner
- first_name: Matthias
  full_name: Reichelt, Matthias
  id: '138'
  last_name: Reichelt
- first_name: Sangam
  full_name: Chatterjee, Sangam
  last_name: Chatterjee
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
citation:
  ama: Trautmann A, Stein M, Schäfer F, et al. <i>Analysis of the Nonlinear Optical
    Response of Excitons in Type-I and Type-II Quantum Wells Including Many-Body Correlations</i>.
    LibreCat University; 2023. doi:<a href="https://doi.org/10.5281/ZENODO.7757178">10.5281/ZENODO.7757178</a>
  apa: Trautmann, A., Stein, M., Schäfer, F., Anders, D., Ngo, C., Steiner, J. T.,
    Reichelt, M., Chatterjee, S., &#38; Meier, T. (2023). <i>Analysis of the nonlinear
    optical response of excitons in type-I and type-II quantum wells including many-body
    correlations</i>. LibreCat University. <a href="https://doi.org/10.5281/ZENODO.7757178">https://doi.org/10.5281/ZENODO.7757178</a>
  bibtex: '@book{Trautmann_Stein_Schäfer_Anders_Ngo_Steiner_Reichelt_Chatterjee_Meier_2023,
    title={Analysis of the nonlinear optical response of excitons in type-I and type-II
    quantum wells including many-body correlations}, DOI={<a href="https://doi.org/10.5281/ZENODO.7757178">10.5281/ZENODO.7757178</a>},
    publisher={LibreCat University}, author={Trautmann, Alexander and Stein, Markus
    and Schäfer, Felix and Anders, Daniel and Ngo, Cong and Steiner, Johannes Tilmann
    and Reichelt, Matthias and Chatterjee, Sangam and Meier, Torsten}, year={2023}
    }'
  chicago: Trautmann, Alexander, Markus Stein, Felix Schäfer, Daniel Anders, Cong
    Ngo, Johannes Tilmann Steiner, Matthias Reichelt, Sangam Chatterjee, and Torsten
    Meier. <i>Analysis of the Nonlinear Optical Response of Excitons in Type-I and
    Type-II Quantum Wells Including Many-Body Correlations</i>. LibreCat University,
    2023. <a href="https://doi.org/10.5281/ZENODO.7757178">https://doi.org/10.5281/ZENODO.7757178</a>.
  ieee: A. Trautmann <i>et al.</i>, <i>Analysis of the nonlinear optical response
    of excitons in type-I and type-II quantum wells including many-body correlations</i>.
    LibreCat University, 2023.
  mla: Trautmann, Alexander, et al. <i>Analysis of the Nonlinear Optical Response
    of Excitons in Type-I and Type-II Quantum Wells Including Many-Body Correlations</i>.
    LibreCat University, 2023, doi:<a href="https://doi.org/10.5281/ZENODO.7757178">10.5281/ZENODO.7757178</a>.
  short: A. Trautmann, M. Stein, F. Schäfer, D. Anders, C. Ngo, J.T. Steiner, M. Reichelt,
    S. Chatterjee, T. Meier, Analysis of the Nonlinear Optical Response of Excitons
    in Type-I and Type-II Quantum Wells Including Many-Body Correlations, LibreCat
    University, 2023.
date_created: 2024-05-21T14:19:32Z
date_updated: 2024-07-15T09:37:35Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '35'
- _id: '230'
doi: 10.5281/ZENODO.7757178
publisher: LibreCat University
status: public
title: Analysis of the nonlinear optical response of excitons in type-I and type-II
  quantum wells including many-body correlations
type: research_data
user_id: '16199'
year: '2023'
...
