---
_id: '1458'
author:
- first_name: Heike
  full_name: Probst, Heike
  last_name: Probst
- first_name: Thomas
  full_name: Zentgraf, Thomas
  id: '30525'
  last_name: Zentgraf
  orcid: 0000-0002-8662-1101
citation:
  ama: Probst H, Zentgraf T. Designermaterialien für nichtlineare Optik. <i>Physik
    in unserer Zeit</i>. 2016;47(2):84-89. doi:<a href="https://doi.org/10.1002/piuz.201601427">10.1002/piuz.201601427</a>
  apa: Probst, H., &#38; Zentgraf, T. (2016). Designermaterialien für nichtlineare
    Optik. <i>Physik in Unserer Zeit</i>, <i>47</i>(2), 84–89. <a href="https://doi.org/10.1002/piuz.201601427">https://doi.org/10.1002/piuz.201601427</a>
  bibtex: '@article{Probst_Zentgraf_2016, title={Designermaterialien für nichtlineare
    Optik}, volume={47}, DOI={<a href="https://doi.org/10.1002/piuz.201601427">10.1002/piuz.201601427</a>},
    number={2}, journal={Physik in unserer Zeit}, publisher={Wiley-Blackwell}, author={Probst,
    Heike and Zentgraf, Thomas}, year={2016}, pages={84–89} }'
  chicago: 'Probst, Heike, and Thomas Zentgraf. “Designermaterialien Für Nichtlineare
    Optik.” <i>Physik in Unserer Zeit</i> 47, no. 2 (2016): 84–89. <a href="https://doi.org/10.1002/piuz.201601427">https://doi.org/10.1002/piuz.201601427</a>.'
  ieee: 'H. Probst and T. Zentgraf, “Designermaterialien für nichtlineare Optik,”
    <i>Physik in unserer Zeit</i>, vol. 47, no. 2, pp. 84–89, 2016, doi: <a href="https://doi.org/10.1002/piuz.201601427">10.1002/piuz.201601427</a>.'
  mla: Probst, Heike, and Thomas Zentgraf. “Designermaterialien Für Nichtlineare Optik.”
    <i>Physik in Unserer Zeit</i>, vol. 47, no. 2, Wiley-Blackwell, 2016, pp. 84–89,
    doi:<a href="https://doi.org/10.1002/piuz.201601427">10.1002/piuz.201601427</a>.
  short: H. Probst, T. Zentgraf, Physik in Unserer Zeit 47 (2016) 84–89.
date_created: 2018-03-20T18:22:19Z
date_updated: 2025-01-08T09:21:00Z
department:
- _id: '15'
- _id: '230'
doi: 10.1002/piuz.201601427
intvolume: '        47'
issue: '2'
language:
- iso: eng
page: 84-89
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: '62'
  grant_number: '231447078'
  name: 'TRR 142 - A05: TRR 142 - Plasmonische Nanoantennen verstärkte Licht Emission
    und Frequenz Konversion in dielektrischen und Halbleiter-Mikrostrukturen (A05)'
publication: Physik in unserer Zeit
publication_identifier:
  issn:
  - 0031-9252
publication_status: published
publisher: Wiley-Blackwell
status: public
title: Designermaterialien für nichtlineare Optik
type: journal_article
user_id: '30525'
volume: 47
year: '2016'
...
---
_id: '10024'
abstract:
- lang: eng
  text: The influence of electronic many-body interactions, spin-orbit coupling, and
    thermal lattice vibrations on the electronic structure of lithium niobate is calculated
    from first principles. Self-energy calculations in the GW approximation show that
    the inclusion of self-consistency in the Green function G and the screened Coulomb
    potential W opens the band gap far stronger than found in previous G0W0 calculations
    but slightly overestimates its actual value due to the neglect of excitonic effects
    in W. A realistic frozen-lattice band gap of about 5.9 eV is obtained by combining
    hybrid density functional theory with the QSGW0 scheme. The renormalization of
    the band gap due to electron-phonon coupling, derived here using molecular dynamics
    as well as density functional perturbation theory, reduces this value by about
    0.5 eV at room temperature. Spin-orbit coupling does not noticeably modify the
    fundamental gap but gives rise to a Rashba-like spin texture in the conduction
    band.
article_number: '075205'
article_type: original
author:
- first_name: Arthur
  full_name: Riefer, Arthur
  last_name: Riefer
- first_name: Michael
  full_name: Friedrich, Michael
  last_name: Friedrich
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Riefer A, Friedrich M, Sanna S, Gerstmann U, Schindlmayr A, Schmidt WG. LiNbO3
    electronic structure: Many-body interactions, spin-orbit coupling, and thermal
    effects. <i>Physical Review B</i>. 2016;93(7). doi:<a href="https://doi.org/10.1103/PhysRevB.93.075205">10.1103/PhysRevB.93.075205</a>'
  apa: 'Riefer, A., Friedrich, M., Sanna, S., Gerstmann, U., Schindlmayr, A., &#38;
    Schmidt, W. G. (2016). LiNbO3 electronic structure: Many-body interactions, spin-orbit
    coupling, and thermal effects. <i>Physical Review B</i>, <i>93</i>(7), Article
    075205. <a href="https://doi.org/10.1103/PhysRevB.93.075205">https://doi.org/10.1103/PhysRevB.93.075205</a>'
  bibtex: '@article{Riefer_Friedrich_Sanna_Gerstmann_Schindlmayr_Schmidt_2016, title={LiNbO3
    electronic structure: Many-body interactions, spin-orbit coupling, and thermal
    effects}, volume={93}, DOI={<a href="https://doi.org/10.1103/PhysRevB.93.075205">10.1103/PhysRevB.93.075205</a>},
    number={7075205}, journal={Physical Review B}, publisher={American Physical Society},
    author={Riefer, Arthur and Friedrich, Michael and Sanna, Simone and Gerstmann,
    Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2016} }'
  chicago: 'Riefer, Arthur, Michael Friedrich, Simone Sanna, Uwe Gerstmann, Arno Schindlmayr,
    and Wolf Gero Schmidt. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit
    Coupling, and Thermal Effects.” <i>Physical Review B</i> 93, no. 7 (2016). <a
    href="https://doi.org/10.1103/PhysRevB.93.075205">https://doi.org/10.1103/PhysRevB.93.075205</a>.'
  ieee: 'A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, and W. G.
    Schmidt, “LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling,
    and thermal effects,” <i>Physical Review B</i>, vol. 93, no. 7, Art. no. 075205,
    2016, doi: <a href="https://doi.org/10.1103/PhysRevB.93.075205">10.1103/PhysRevB.93.075205</a>.'
  mla: 'Riefer, Arthur, et al. “LiNbO3 Electronic Structure: Many-Body Interactions,
    Spin-Orbit Coupling, and Thermal Effects.” <i>Physical Review B</i>, vol. 93,
    no. 7, 075205, American Physical Society, 2016, doi:<a href="https://doi.org/10.1103/PhysRevB.93.075205">10.1103/PhysRevB.93.075205</a>.'
  short: A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, W.G. Schmidt,
    Physical Review B 93 (2016).
date_created: 2019-05-29T07:50:59Z
date_updated: 2025-12-05T09:59:57Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '790'
- _id: '15'
- _id: '35'
- _id: '27'
doi: 10.1103/PhysRevB.93.075205
external_id:
  isi:
  - '000370794800004'
file:
- access_level: open_access
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-27T20:36:43Z
  date_updated: 2020-08-30T14:39:23Z
  description: © 2016 American Physical Society
  file_id: '18469'
  file_name: PhysRevB.93.075205.pdf
  file_size: 1314637
  relation: main_file
  title: 'LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling,
    and thermal effects'
file_date_updated: 2020-08-30T14:39:23Z
has_accepted_license: '1'
intvolume: '        93'
isi: '1'
issue: '7'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
  name: TRR 142
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '69'
  name: TRR 142 - Subproject B4
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  eissn:
  - 2469-9969
  issn:
  - 2469-9950
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: 'LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling,
  and thermal effects'
type: journal_article
user_id: '16199'
volume: 93
year: '2016'
...
---
_id: '10025'
abstract:
- lang: eng
  text: The phonon dispersions of the ferro‐ and paraelectric phase of LiTaO3 are
    calculated within density‐functional perturbation theory. The longitudinal optical
    phonon modes are theoretically derived and compared with available experimental
    data. Our results confirm the recent phonon assignment proposed by Margueron et
    al. [J. Appl. Phys. 111, 104105 (2012)] on the basis of spectroscopical studies.
    A comparison with the phonon band structure of the related material LiNbO3 shows
    minor differences that can be traced to the atomic‐mass difference between Ta
    and Nb. The presence of phonons with imaginary frequencies for the paraelectric
    phase suggests that it does not correspond to a minimum energy structure, and
    is compatible with an order‐disorder type phase transition.
article_type: original
author:
- first_name: Michael
  full_name: Friedrich, Michael
  last_name: Friedrich
- first_name: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
citation:
  ama: Friedrich M, Schindlmayr A, Schmidt WG, Sanna S. LiTaO3 phonon dispersion and
    ferroelectric transition calculated from first principles. <i>Physica Status Solidi
    B</i>. 2016;253(4):683-689. doi:<a href="https://doi.org/10.1002/pssb.201552576">10.1002/pssb.201552576</a>
  apa: Friedrich, M., Schindlmayr, A., Schmidt, W. G., &#38; Sanna, S. (2016). LiTaO3
    phonon dispersion and ferroelectric transition calculated from first principles.
    <i>Physica Status Solidi B</i>, <i>253</i>(4), 683–689. <a href="https://doi.org/10.1002/pssb.201552576">https://doi.org/10.1002/pssb.201552576</a>
  bibtex: '@article{Friedrich_Schindlmayr_Schmidt_Sanna_2016, title={LiTaO3 phonon
    dispersion and ferroelectric transition calculated from first principles}, volume={253},
    DOI={<a href="https://doi.org/10.1002/pssb.201552576">10.1002/pssb.201552576</a>},
    number={4}, journal={Physica Status Solidi B}, publisher={Wiley-VCH}, author={Friedrich,
    Michael and Schindlmayr, Arno and Schmidt, Wolf Gero and Sanna, Simone}, year={2016},
    pages={683–689} }'
  chicago: 'Friedrich, Michael, Arno Schindlmayr, Wolf Gero Schmidt, and Simone Sanna.
    “LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.”
    <i>Physica Status Solidi B</i> 253, no. 4 (2016): 683–89. <a href="https://doi.org/10.1002/pssb.201552576">https://doi.org/10.1002/pssb.201552576</a>.'
  ieee: 'M. Friedrich, A. Schindlmayr, W. G. Schmidt, and S. Sanna, “LiTaO3 phonon
    dispersion and ferroelectric transition calculated from first principles,” <i>Physica
    Status Solidi B</i>, vol. 253, no. 4, pp. 683–689, 2016, doi: <a href="https://doi.org/10.1002/pssb.201552576">10.1002/pssb.201552576</a>.'
  mla: Friedrich, Michael, et al. “LiTaO3 Phonon Dispersion and Ferroelectric Transition
    Calculated from First Principles.” <i>Physica Status Solidi B</i>, vol. 253, no.
    4, Wiley-VCH, 2016, pp. 683–89, doi:<a href="https://doi.org/10.1002/pssb.201552576">10.1002/pssb.201552576</a>.
  short: M. Friedrich, A. Schindlmayr, W.G. Schmidt, S. Sanna, Physica Status Solidi
    B 253 (2016) 683–689.
date_created: 2019-05-29T07:52:52Z
date_updated: 2025-12-05T09:58:55Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '15'
- _id: '35'
- _id: '27'
doi: 10.1002/pssb.201552576
external_id:
  isi:
  - '000374142500015'
file:
- access_level: closed
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-28T14:22:11Z
  date_updated: 2020-08-30T14:41:39Z
  description: © 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
  file_id: '18577'
  file_name: pssb.201552576.pdf
  file_size: 402594
  relation: main_file
  title: LiTaO3 phonon dispersion and ferroelectric transition calculated from first
    principles
file_date_updated: 2020-08-30T14:41:39Z
has_accepted_license: '1'
intvolume: '       253'
isi: '1'
issue: '4'
language:
- iso: eng
page: 683-689
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
  name: TRR 142
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '69'
  name: TRR 142 - Subproject B4
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physica Status Solidi B
publication_identifier:
  eissn:
  - 1521-3951
  issn:
  - 0370-1972
publication_status: published
publisher: Wiley-VCH
quality_controlled: '1'
status: public
title: LiTaO3 phonon dispersion and ferroelectric transition calculated from first
  principles
type: journal_article
user_id: '16199'
volume: 253
year: '2016'
...
---
_id: '13492'
article_number: '025704'
author:
- first_name: Stefano
  full_name: Tebi, Stefano
  last_name: Tebi
- first_name: Hazem
  full_name: Aldahhak, Hazem
  last_name: Aldahhak
- first_name: Giulia
  full_name: Serrano, Giulia
  last_name: Serrano
- first_name: Wolfgang
  full_name: Schöfberger, Wolfgang
  last_name: Schöfberger
- first_name: Eva
  full_name: Rauls, Eva
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Reinhold
  full_name: Koch, Reinhold
  last_name: Koch
- first_name: Stefan
  full_name: Müllegger, Stefan
  last_name: Müllegger
citation:
  ama: Tebi S, Aldahhak H, Serrano G, et al. Manipulation resolves non-trivial structure
    of corrole monolayer on Ag(111). <i>Nanotechnology</i>. 2016;27. doi:<a href="https://doi.org/10.1088/0957-4484/27/2/025704">10.1088/0957-4484/27/2/025704</a>
  apa: Tebi, S., Aldahhak, H., Serrano, G., Schöfberger, W., Rauls, E., Schmidt, W.
    G., Koch, R., &#38; Müllegger, S. (2016). Manipulation resolves non-trivial structure
    of corrole monolayer on Ag(111). <i>Nanotechnology</i>, <i>27</i>, Article 025704.
    <a href="https://doi.org/10.1088/0957-4484/27/2/025704">https://doi.org/10.1088/0957-4484/27/2/025704</a>
  bibtex: '@article{Tebi_Aldahhak_Serrano_Schöfberger_Rauls_Schmidt_Koch_Müllegger_2016,
    title={Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)},
    volume={27}, DOI={<a href="https://doi.org/10.1088/0957-4484/27/2/025704">10.1088/0957-4484/27/2/025704</a>},
    number={025704}, journal={Nanotechnology}, author={Tebi, Stefano and Aldahhak,
    Hazem and Serrano, Giulia and Schöfberger, Wolfgang and Rauls, Eva and Schmidt,
    Wolf Gero and Koch, Reinhold and Müllegger, Stefan}, year={2016} }'
  chicago: Tebi, Stefano, Hazem Aldahhak, Giulia Serrano, Wolfgang Schöfberger, Eva
    Rauls, Wolf Gero Schmidt, Reinhold Koch, and Stefan Müllegger. “Manipulation Resolves
    Non-Trivial Structure of Corrole Monolayer on Ag(111).” <i>Nanotechnology</i>
    27 (2016). <a href="https://doi.org/10.1088/0957-4484/27/2/025704">https://doi.org/10.1088/0957-4484/27/2/025704</a>.
  ieee: 'S. Tebi <i>et al.</i>, “Manipulation resolves non-trivial structure of corrole
    monolayer on Ag(111),” <i>Nanotechnology</i>, vol. 27, Art. no. 025704, 2016,
    doi: <a href="https://doi.org/10.1088/0957-4484/27/2/025704">10.1088/0957-4484/27/2/025704</a>.'
  mla: Tebi, Stefano, et al. “Manipulation Resolves Non-Trivial Structure of Corrole
    Monolayer on Ag(111).” <i>Nanotechnology</i>, vol. 27, 025704, 2016, doi:<a href="https://doi.org/10.1088/0957-4484/27/2/025704">10.1088/0957-4484/27/2/025704</a>.
  short: S. Tebi, H. Aldahhak, G. Serrano, W. Schöfberger, E. Rauls, W.G. Schmidt,
    R. Koch, S. Müllegger, Nanotechnology 27 (2016).
date_created: 2019-09-30T12:29:16Z
date_updated: 2025-12-05T10:20:57Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1088/0957-4484/27/2/025704
funded_apc: '1'
intvolume: '        27'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Nanotechnology
publication_identifier:
  issn:
  - 0957-4484
  - 1361-6528
publication_status: published
status: public
title: Manipulation resolves non-trivial structure of corrole monolayer on Ag(111)
type: journal_article
user_id: '16199'
volume: 27
year: '2016'
...
---
_id: '13491'
author:
- first_name: Wolfgang
  full_name: Schöfberger, Wolfgang
  last_name: Schöfberger
- first_name: Felix
  full_name: Faschinger, Felix
  last_name: Faschinger
- first_name: Samir
  full_name: Chattopadhyay, Samir
  last_name: Chattopadhyay
- first_name: Snehadri
  full_name: Bhakta, Snehadri
  last_name: Bhakta
- first_name: Biswajit
  full_name: Mondal, Biswajit
  last_name: Mondal
- first_name: Johannes A. A. W.
  full_name: Elemans, Johannes A. A. W.
  last_name: Elemans
- first_name: Stefan
  full_name: Müllegger, Stefan
  last_name: Müllegger
- first_name: Stefano
  full_name: Tebi, Stefano
  last_name: Tebi
- first_name: Reinhold
  full_name: Koch, Reinhold
  last_name: Koch
- first_name: Florian
  full_name: Klappenberger, Florian
  last_name: Klappenberger
- first_name: Mateusz
  full_name: Paszkiewicz, Mateusz
  last_name: Paszkiewicz
- first_name: Johannes V.
  full_name: Barth, Johannes V.
  last_name: Barth
- first_name: Eva
  full_name: Rauls, Eva
  last_name: Rauls
- first_name: Hazem
  full_name: Aldahhak, Hazem
  last_name: Aldahhak
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Abhishek
  full_name: Dey, Abhishek
  last_name: Dey
citation:
  ama: Schöfberger W, Faschinger F, Chattopadhyay S, et al. A Bifunctional Electrocatalyst
    for Oxygen Evolution and Oxygen Reduction Reactions in Water. <i>Angewandte Chemie
    International Edition</i>. Published online 2016:2350-2355. doi:<a href="https://doi.org/10.1002/anie.201508404">10.1002/anie.201508404</a>
  apa: Schöfberger, W., Faschinger, F., Chattopadhyay, S., Bhakta, S., Mondal, B.,
    Elemans, J. A. A. W., Müllegger, S., Tebi, S., Koch, R., Klappenberger, F., Paszkiewicz,
    M., Barth, J. V., Rauls, E., Aldahhak, H., Schmidt, W. G., &#38; Dey, A. (2016).
    A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions
    in Water. <i>Angewandte Chemie International Edition</i>, 2350–2355. <a href="https://doi.org/10.1002/anie.201508404">https://doi.org/10.1002/anie.201508404</a>
  bibtex: '@article{Schöfberger_Faschinger_Chattopadhyay_Bhakta_Mondal_Elemans_Müllegger_Tebi_Koch_Klappenberger_et
    al._2016, title={A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen
    Reduction Reactions in Water}, DOI={<a href="https://doi.org/10.1002/anie.201508404">10.1002/anie.201508404</a>},
    journal={Angewandte Chemie International Edition}, author={Schöfberger, Wolfgang
    and Faschinger, Felix and Chattopadhyay, Samir and Bhakta, Snehadri and Mondal,
    Biswajit and Elemans, Johannes A. A. W. and Müllegger, Stefan and Tebi, Stefano
    and Koch, Reinhold and Klappenberger, Florian and et al.}, year={2016}, pages={2350–2355}
    }'
  chicago: Schöfberger, Wolfgang, Felix Faschinger, Samir Chattopadhyay, Snehadri
    Bhakta, Biswajit Mondal, Johannes A. A. W. Elemans, Stefan Müllegger, et al. “A
    Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions
    in Water.” <i>Angewandte Chemie International Edition</i>, 2016, 2350–55. <a href="https://doi.org/10.1002/anie.201508404">https://doi.org/10.1002/anie.201508404</a>.
  ieee: 'W. Schöfberger <i>et al.</i>, “A Bifunctional Electrocatalyst for Oxygen
    Evolution and Oxygen Reduction Reactions in Water,” <i>Angewandte Chemie International
    Edition</i>, pp. 2350–2355, 2016, doi: <a href="https://doi.org/10.1002/anie.201508404">10.1002/anie.201508404</a>.'
  mla: Schöfberger, Wolfgang, et al. “A Bifunctional Electrocatalyst for Oxygen Evolution
    and Oxygen Reduction Reactions in Water.” <i>Angewandte Chemie International Edition</i>,
    2016, pp. 2350–55, doi:<a href="https://doi.org/10.1002/anie.201508404">10.1002/anie.201508404</a>.
  short: W. Schöfberger, F. Faschinger, S. Chattopadhyay, S. Bhakta, B. Mondal, J.A.A.W.
    Elemans, S. Müllegger, S. Tebi, R. Koch, F. Klappenberger, M. Paszkiewicz, J.V.
    Barth, E. Rauls, H. Aldahhak, W.G. Schmidt, A. Dey, Angewandte Chemie International
    Edition (2016) 2350–2355.
date_created: 2019-09-30T12:27:10Z
date_updated: 2025-12-05T10:21:25Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1002/anie.201508404
language:
- iso: eng
page: 2350-2355
publication: Angewandte Chemie International Edition
publication_identifier:
  issn:
  - 1433-7851
publication_status: published
status: public
title: A Bifunctional Electrocatalyst for Oxygen Evolution and Oxygen Reduction Reactions
  in Water
type: journal_article
user_id: '16199'
year: '2016'
...
---
_id: '13476'
author:
- first_name: Nora Jenny
  full_name: Vollmers, Nora Jenny
  last_name: Vollmers
- first_name: Patrick
  full_name: Müller, Patrick
  last_name: Müller
- first_name: Alexander
  full_name: Hoffmann, Alexander
  last_name: Hoffmann
- first_name: Sonja
  full_name: Herres-Pawlis, Sonja
  last_name: Herres-Pawlis
- first_name: Martin
  full_name: Rohrmüller, Martin
  last_name: Rohrmüller
- 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: Matthias
  full_name: Bauer, Matthias
  id: '47241'
  last_name: Bauer
  orcid: 0000-0002-9294-6076
citation:
  ama: 'Vollmers NJ, Müller P, Hoffmann A, et al. Experimental and Theoretical High-Energy-Resolution
    X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic
    State. <i>Inorganic Chemistry</i>. 2016;55:11694-11706. doi:<a href="https://doi.org/10.1021/acs.inorgchem.6b01704">10.1021/acs.inorgchem.6b01704</a>'
  apa: 'Vollmers, N. J., Müller, P., Hoffmann, A., Herres-Pawlis, S., Rohrmüller,
    M., Schmidt, W. G., Gerstmann, U., &#38; Bauer, M. (2016). Experimental and Theoretical
    High-Energy-Resolution X-ray Absorption Spectroscopy: Implications for the Investigation
    of the Entatic State. <i>Inorganic Chemistry</i>, <i>55</i>, 11694–11706. <a href="https://doi.org/10.1021/acs.inorgchem.6b01704">https://doi.org/10.1021/acs.inorgchem.6b01704</a>'
  bibtex: '@article{Vollmers_Müller_Hoffmann_Herres-Pawlis_Rohrmüller_Schmidt_Gerstmann_Bauer_2016,
    title={Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy:
    Implications for the Investigation of the Entatic State}, volume={55}, DOI={<a
    href="https://doi.org/10.1021/acs.inorgchem.6b01704">10.1021/acs.inorgchem.6b01704</a>},
    journal={Inorganic Chemistry}, author={Vollmers, Nora Jenny and Müller, Patrick
    and Hoffmann, Alexander and Herres-Pawlis, Sonja and Rohrmüller, Martin and Schmidt,
    Wolf Gero and Gerstmann, Uwe and Bauer, Matthias}, year={2016}, pages={11694–11706}
    }'
  chicago: 'Vollmers, Nora Jenny, Patrick Müller, Alexander Hoffmann, Sonja Herres-Pawlis,
    Martin Rohrmüller, Wolf Gero Schmidt, Uwe Gerstmann, and Matthias Bauer. “Experimental
    and Theoretical High-Energy-Resolution X-Ray Absorption Spectroscopy: Implications
    for the Investigation of the Entatic State.” <i>Inorganic Chemistry</i> 55 (2016):
    11694–706. <a href="https://doi.org/10.1021/acs.inorgchem.6b01704">https://doi.org/10.1021/acs.inorgchem.6b01704</a>.'
  ieee: 'N. J. Vollmers <i>et al.</i>, “Experimental and Theoretical High-Energy-Resolution
    X-ray Absorption Spectroscopy: Implications for the Investigation of the Entatic
    State,” <i>Inorganic Chemistry</i>, vol. 55, pp. 11694–11706, 2016, doi: <a href="https://doi.org/10.1021/acs.inorgchem.6b01704">10.1021/acs.inorgchem.6b01704</a>.'
  mla: 'Vollmers, Nora Jenny, et al. “Experimental and Theoretical High-Energy-Resolution
    X-Ray Absorption Spectroscopy: Implications for the Investigation of the Entatic
    State.” <i>Inorganic Chemistry</i>, vol. 55, 2016, pp. 11694–706, doi:<a href="https://doi.org/10.1021/acs.inorgchem.6b01704">10.1021/acs.inorgchem.6b01704</a>.'
  short: N.J. Vollmers, P. Müller, A. Hoffmann, S. Herres-Pawlis, M. Rohrmüller, W.G.
    Schmidt, U. Gerstmann, M. Bauer, Inorganic Chemistry 55 (2016) 11694–11706.
date_created: 2019-09-30T11:31:03Z
date_updated: 2025-12-05T10:26:19Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '2'
- _id: '306'
- _id: '230'
- _id: '27'
doi: 10.1021/acs.inorgchem.6b01704
intvolume: '        55'
language:
- iso: eng
page: 11694-11706
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Inorganic Chemistry
publication_identifier:
  issn:
  - 0020-1669
  - 1520-510X
publication_status: published
status: public
title: 'Experimental and Theoretical High-Energy-Resolution X-ray Absorption Spectroscopy:
  Implications for the Investigation of the Entatic State'
type: journal_article
user_id: '16199'
volume: 55
year: '2016'
...
---
_id: '13477'
author:
- first_name: Matthias
  full_name: Witte, Matthias
  last_name: Witte
- first_name: Benjamin
  full_name: Grimm-Lebsanft, Benjamin
  last_name: Grimm-Lebsanft
- first_name: Arne
  full_name: Goos, Arne
  last_name: Goos
- first_name: Stephan
  full_name: Binder, Stephan
  last_name: Binder
- first_name: Michael
  full_name: Rübhausen, Michael
  last_name: Rübhausen
- first_name: Martin
  full_name: Bernard, Martin
  last_name: Bernard
- first_name: Adam
  full_name: Neuba, Adam
  last_name: Neuba
- first_name: Serge
  full_name: Gorelsky, Serge
  last_name: Gorelsky
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Gerald
  full_name: Henkel, Gerald
  last_name: Henkel
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Sonja
  full_name: Herres-Pawlis, Sonja
  last_name: Herres-Pawlis
citation:
  ama: Witte M, Grimm-Lebsanft B, Goos A, et al. Optical response of the Cu2S2diamond
    core in Cu2II(NGuaS)2Cl2. <i>Journal of Computational Chemistry</i>. 2016;37(23-24):2181-2192.
    doi:<a href="https://doi.org/10.1002/jcc.24439">10.1002/jcc.24439</a>
  apa: Witte, M., Grimm-Lebsanft, B., Goos, A., Binder, S., Rübhausen, M., Bernard,
    M., Neuba, A., Gorelsky, S., Gerstmann, U., Henkel, G., Schmidt, W. G., &#38;
    Herres-Pawlis, S. (2016). Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2.
    <i>Journal of Computational Chemistry</i>, <i>37</i>(23–24), 2181–2192. <a href="https://doi.org/10.1002/jcc.24439">https://doi.org/10.1002/jcc.24439</a>
  bibtex: '@article{Witte_Grimm-Lebsanft_Goos_Binder_Rübhausen_Bernard_Neuba_Gorelsky_Gerstmann_Henkel_et
    al._2016, title={Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2},
    volume={37}, DOI={<a href="https://doi.org/10.1002/jcc.24439">10.1002/jcc.24439</a>},
    number={23–24}, journal={Journal of Computational Chemistry}, author={Witte, Matthias
    and Grimm-Lebsanft, Benjamin and Goos, Arne and Binder, Stephan and Rübhausen,
    Michael and Bernard, Martin and Neuba, Adam and Gorelsky, Serge and Gerstmann,
    Uwe and Henkel, Gerald and et al.}, year={2016}, pages={2181–2192} }'
  chicago: 'Witte, Matthias, Benjamin Grimm-Lebsanft, Arne Goos, Stephan Binder, Michael
    Rübhausen, Martin Bernard, Adam Neuba, et al. “Optical Response of the Cu2S2diamond
    Core in Cu2II(NGuaS)2Cl2.” <i>Journal of Computational Chemistry</i> 37, no. 23–24
    (2016): 2181–92. <a href="https://doi.org/10.1002/jcc.24439">https://doi.org/10.1002/jcc.24439</a>.'
  ieee: 'M. Witte <i>et al.</i>, “Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2,”
    <i>Journal of Computational Chemistry</i>, vol. 37, no. 23–24, pp. 2181–2192,
    2016, doi: <a href="https://doi.org/10.1002/jcc.24439">10.1002/jcc.24439</a>.'
  mla: Witte, Matthias, et al. “Optical Response of the Cu2S2diamond Core in Cu2II(NGuaS)2Cl2.”
    <i>Journal of Computational Chemistry</i>, vol. 37, no. 23–24, 2016, pp. 2181–92,
    doi:<a href="https://doi.org/10.1002/jcc.24439">10.1002/jcc.24439</a>.
  short: M. Witte, B. Grimm-Lebsanft, A. Goos, S. Binder, M. Rübhausen, M. Bernard,
    A. Neuba, S. Gorelsky, U. Gerstmann, G. Henkel, W.G. Schmidt, S. Herres-Pawlis,
    Journal of Computational Chemistry 37 (2016) 2181–2192.
date_created: 2019-09-30T11:34:50Z
date_updated: 2025-12-05T10:25:31Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '2'
- _id: '305'
- _id: '230'
- _id: '27'
doi: 10.1002/jcc.24439
intvolume: '        37'
issue: 23-24
language:
- iso: eng
page: 2181-2192
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of Computational Chemistry
publication_identifier:
  issn:
  - 0192-8651
publication_status: published
status: public
title: Optical response of the Cu2S2diamond core in Cu2II(NGuaS)2Cl2
type: journal_article
user_id: '16199'
volume: 37
year: '2016'
...
---
_id: '13479'
author:
- first_name: Andreas
  full_name: Lücke, Andreas
  last_name: Lücke
- first_name: Frank
  full_name: Ortmann, Frank
  last_name: Ortmann
- first_name: Michel
  full_name: Panhans, Michel
  last_name: Panhans
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Eva
  full_name: Rauls, Eva
  last_name: Rauls
- 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: Lücke A, Ortmann F, Panhans M, et al. Temperature-Dependent Hole Mobility and
    Its Limit in Crystal-Phase P3HT Calculated from First Principles. <i>The Journal
    of Physical Chemistry B</i>. 2016;120:5572-5580. doi:<a href="https://doi.org/10.1021/acs.jpcb.6b03598">10.1021/acs.jpcb.6b03598</a>
  apa: Lücke, A., Ortmann, F., Panhans, M., Sanna, S., Rauls, E., Gerstmann, U., &#38;
    Schmidt, W. G. (2016). Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase
    P3HT Calculated from First Principles. <i>The Journal of Physical Chemistry B</i>,
    <i>120</i>, 5572–5580. <a href="https://doi.org/10.1021/acs.jpcb.6b03598">https://doi.org/10.1021/acs.jpcb.6b03598</a>
  bibtex: '@article{Lücke_Ortmann_Panhans_Sanna_Rauls_Gerstmann_Schmidt_2016, title={Temperature-Dependent
    Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated from First Principles},
    volume={120}, DOI={<a href="https://doi.org/10.1021/acs.jpcb.6b03598">10.1021/acs.jpcb.6b03598</a>},
    journal={The Journal of Physical Chemistry B}, author={Lücke, Andreas and Ortmann,
    Frank and Panhans, Michel and Sanna, Simone and Rauls, Eva and Gerstmann, Uwe
    and Schmidt, Wolf Gero}, year={2016}, pages={5572–5580} }'
  chicago: 'Lücke, Andreas, Frank Ortmann, Michel Panhans, Simone Sanna, Eva Rauls,
    Uwe Gerstmann, and Wolf Gero Schmidt. “Temperature-Dependent Hole Mobility and
    Its Limit in Crystal-Phase P3HT Calculated from First Principles.” <i>The Journal
    of Physical Chemistry B</i> 120 (2016): 5572–80. <a href="https://doi.org/10.1021/acs.jpcb.6b03598">https://doi.org/10.1021/acs.jpcb.6b03598</a>.'
  ieee: 'A. Lücke <i>et al.</i>, “Temperature-Dependent Hole Mobility and Its Limit
    in Crystal-Phase P3HT Calculated from First Principles,” <i>The Journal of Physical
    Chemistry B</i>, vol. 120, pp. 5572–5580, 2016, doi: <a href="https://doi.org/10.1021/acs.jpcb.6b03598">10.1021/acs.jpcb.6b03598</a>.'
  mla: Lücke, Andreas, et al. “Temperature-Dependent Hole Mobility and Its Limit in
    Crystal-Phase P3HT Calculated from First Principles.” <i>The Journal of Physical
    Chemistry B</i>, vol. 120, 2016, pp. 5572–80, doi:<a href="https://doi.org/10.1021/acs.jpcb.6b03598">10.1021/acs.jpcb.6b03598</a>.
  short: A. Lücke, F. Ortmann, M. Panhans, S. Sanna, E. Rauls, U. Gerstmann, W.G.
    Schmidt, The Journal of Physical Chemistry B 120 (2016) 5572–5580.
date_created: 2019-09-30T11:42:37Z
date_updated: 2025-12-05T10:24:31Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '790'
- _id: '27'
doi: 10.1021/acs.jpcb.6b03598
intvolume: '       120'
language:
- iso: eng
page: 5572-5580
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry B
publication_identifier:
  issn:
  - 1520-6106
  - 1520-5207
publication_status: published
status: public
title: Temperature-Dependent Hole Mobility and Its Limit in Crystal-Phase P3HT Calculated
  from First Principles
type: journal_article
user_id: '16199'
volume: 120
year: '2016'
...
---
_id: '13480'
author:
- first_name: A.
  full_name: Paulheim, A.
  last_name: Paulheim
- first_name: C.
  full_name: Marquardt, C.
  last_name: Marquardt
- first_name: Hazem
  full_name: Aldahhak, Hazem
  last_name: Aldahhak
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: M.
  full_name: Sokolowski, M.
  last_name: Sokolowski
citation:
  ama: Paulheim A, Marquardt C, Aldahhak H, Rauls E, Schmidt WG, Sokolowski M. Inhomogeneous
    and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed
    at Step Edges of Alkali Halide Surfaces. <i>The Journal of Physical Chemistry
    C</i>. 2016;10:11926-11937. doi:<a href="https://doi.org/10.1021/acs.jpcc.6b01956">10.1021/acs.jpcc.6b01956</a>
  apa: Paulheim, A., Marquardt, C., Aldahhak, H., Rauls, E., Schmidt, W. G., &#38;
    Sokolowski, M. (2016). Inhomogeneous and Homogeneous Line Broadening of Optical
    Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces. <i>The
    Journal of Physical Chemistry C</i>, <i>10</i>, 11926–11937. <a href="https://doi.org/10.1021/acs.jpcc.6b01956">https://doi.org/10.1021/acs.jpcc.6b01956</a>
  bibtex: '@article{Paulheim_Marquardt_Aldahhak_Rauls_Schmidt_Sokolowski_2016, title={Inhomogeneous
    and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules Adsorbed
    at Step Edges of Alkali Halide Surfaces}, volume={10}, DOI={<a href="https://doi.org/10.1021/acs.jpcc.6b01956">10.1021/acs.jpcc.6b01956</a>},
    journal={The Journal of Physical Chemistry C}, author={Paulheim, A. and Marquardt,
    C. and Aldahhak, Hazem and Rauls, E. and Schmidt, Wolf Gero and Sokolowski, M.},
    year={2016}, pages={11926–11937} }'
  chicago: 'Paulheim, A., C. Marquardt, Hazem Aldahhak, E. Rauls, Wolf Gero Schmidt,
    and M. Sokolowski. “Inhomogeneous and Homogeneous Line Broadening of Optical Spectra
    of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces.” <i>The Journal
    of Physical Chemistry C</i> 10 (2016): 11926–37. <a href="https://doi.org/10.1021/acs.jpcc.6b01956">https://doi.org/10.1021/acs.jpcc.6b01956</a>.'
  ieee: 'A. Paulheim, C. Marquardt, H. Aldahhak, E. Rauls, W. G. Schmidt, and M. Sokolowski,
    “Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules
    Adsorbed at Step Edges of Alkali Halide Surfaces,” <i>The Journal of Physical
    Chemistry C</i>, vol. 10, pp. 11926–11937, 2016, doi: <a href="https://doi.org/10.1021/acs.jpcc.6b01956">10.1021/acs.jpcc.6b01956</a>.'
  mla: Paulheim, A., et al. “Inhomogeneous and Homogeneous Line Broadening of Optical
    Spectra of PTCDA Molecules Adsorbed at Step Edges of Alkali Halide Surfaces.”
    <i>The Journal of Physical Chemistry C</i>, vol. 10, 2016, pp. 11926–37, doi:<a
    href="https://doi.org/10.1021/acs.jpcc.6b01956">10.1021/acs.jpcc.6b01956</a>.
  short: A. Paulheim, C. Marquardt, H. Aldahhak, E. Rauls, W.G. Schmidt, M. Sokolowski,
    The Journal of Physical Chemistry C 10 (2016) 11926–11937.
date_created: 2019-09-30T11:48:22Z
date_updated: 2025-12-05T10:24:01Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/acs.jpcc.6b01956
intvolume: '        10'
language:
- iso: eng
page: 11926-11937
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
  - 1932-7455
publication_status: published
status: public
title: Inhomogeneous and Homogeneous Line Broadening of Optical Spectra of PTCDA Molecules
  Adsorbed at Step Edges of Alkali Halide Surfaces
type: journal_article
user_id: '16199'
volume: 10
year: '2016'
...
---
_id: '13485'
author:
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: C.
  full_name: Dues, C.
  last_name: Dues
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: F.
  full_name: Timmer, F.
  last_name: Timmer
- first_name: J.
  full_name: Wollschläger, J.
  last_name: Wollschläger
- first_name: M.
  full_name: Franz, M.
  last_name: Franz
- first_name: S.
  full_name: Appelfeller, S.
  last_name: Appelfeller
- first_name: M.
  full_name: Dähne, M.
  last_name: Dähne
citation:
  ama: Sanna S, Dues C, Schmidt WG, et al. Rare-earth silicide thin films on the Si(111)
    surface. <i>Physical Review B</i>. 2016;93(19). doi:<a href="https://doi.org/10.1103/physrevb.93.195407">10.1103/physrevb.93.195407</a>
  apa: Sanna, S., Dues, C., Schmidt, W. G., Timmer, F., Wollschläger, J., Franz, M.,
    Appelfeller, S., &#38; Dähne, M. (2016). Rare-earth silicide thin films on the
    Si(111) surface. <i>Physical Review B</i>, <i>93</i>(19). <a href="https://doi.org/10.1103/physrevb.93.195407">https://doi.org/10.1103/physrevb.93.195407</a>
  bibtex: '@article{Sanna_Dues_Schmidt_Timmer_Wollschläger_Franz_Appelfeller_Dähne_2016,
    title={Rare-earth silicide thin films on the Si(111) surface}, volume={93}, DOI={<a
    href="https://doi.org/10.1103/physrevb.93.195407">10.1103/physrevb.93.195407</a>},
    number={19}, journal={Physical Review B}, author={Sanna, S. and Dues, C. and Schmidt,
    Wolf Gero and Timmer, F. and Wollschläger, J. and Franz, M. and Appelfeller, S.
    and Dähne, M.}, year={2016} }'
  chicago: Sanna, S., C. Dues, Wolf Gero Schmidt, F. Timmer, J. Wollschläger, M. Franz,
    S. Appelfeller, and M. Dähne. “Rare-Earth Silicide Thin Films on the Si(111) Surface.”
    <i>Physical Review B</i> 93, no. 19 (2016). <a href="https://doi.org/10.1103/physrevb.93.195407">https://doi.org/10.1103/physrevb.93.195407</a>.
  ieee: 'S. Sanna <i>et al.</i>, “Rare-earth silicide thin films on the Si(111) surface,”
    <i>Physical Review B</i>, vol. 93, no. 19, 2016, doi: <a href="https://doi.org/10.1103/physrevb.93.195407">10.1103/physrevb.93.195407</a>.'
  mla: Sanna, S., et al. “Rare-Earth Silicide Thin Films on the Si(111) Surface.”
    <i>Physical Review B</i>, vol. 93, no. 19, 2016, doi:<a href="https://doi.org/10.1103/physrevb.93.195407">10.1103/physrevb.93.195407</a>.
  short: S. Sanna, C. Dues, W.G. Schmidt, F. Timmer, J. Wollschläger, M. Franz, S.
    Appelfeller, M. Dähne, Physical Review B 93 (2016).
date_created: 2019-09-30T12:10:50Z
date_updated: 2025-12-05T10:23:07Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.93.195407
funded_apc: '1'
intvolume: '        93'
issue: '19'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
status: public
title: Rare-earth silicide thin films on the Si(111) surface
type: journal_article
user_id: '16199'
volume: 93
year: '2016'
...
---
_id: '13487'
author:
- first_name: M.
  full_name: Witte, M.
  last_name: Witte
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Adam
  full_name: Neuba, Adam
  last_name: Neuba
- first_name: G.
  full_name: Henkel, G.
  last_name: Henkel
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Witte M, Gerstmann U, Neuba A, Henkel G, Schmidt WG. Density functional theory
    of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2. <i>Journal of Computational
    Chemistry</i>. 2016;37:1005-1018. doi:<a href="https://doi.org/10.1002/jcc.24289">10.1002/jcc.24289</a>
  apa: Witte, M., Gerstmann, U., Neuba, A., Henkel, G., &#38; Schmidt, W. G. (2016).
    Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2.
    <i>Journal of Computational Chemistry</i>, <i>37</i>, 1005–1018. <a href="https://doi.org/10.1002/jcc.24289">https://doi.org/10.1002/jcc.24289</a>
  bibtex: '@article{Witte_Gerstmann_Neuba_Henkel_Schmidt_2016, title={Density functional
    theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2}, volume={37},
    DOI={<a href="https://doi.org/10.1002/jcc.24289">10.1002/jcc.24289</a>}, journal={Journal
    of Computational Chemistry}, author={Witte, M. and Gerstmann, Uwe and Neuba, Adam
    and Henkel, G. and Schmidt, Wolf Gero}, year={2016}, pages={1005–1018} }'
  chicago: 'Witte, M., Uwe Gerstmann, Adam Neuba, G. Henkel, and Wolf Gero Schmidt.
    “Density Functional Theory of the CuA-like Cu2S2 Diamond Core in Cu 2II(NGuaS)2Cl2.”
    <i>Journal of Computational Chemistry</i> 37 (2016): 1005–18. <a href="https://doi.org/10.1002/jcc.24289">https://doi.org/10.1002/jcc.24289</a>.'
  ieee: 'M. Witte, U. Gerstmann, A. Neuba, G. Henkel, and W. G. Schmidt, “Density
    functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2,” <i>Journal
    of Computational Chemistry</i>, vol. 37, pp. 1005–1018, 2016, doi: <a href="https://doi.org/10.1002/jcc.24289">10.1002/jcc.24289</a>.'
  mla: Witte, M., et al. “Density Functional Theory of the CuA-like Cu2S2 Diamond
    Core in Cu 2II(NGuaS)2Cl2.” <i>Journal of Computational Chemistry</i>, vol. 37,
    2016, pp. 1005–18, doi:<a href="https://doi.org/10.1002/jcc.24289">10.1002/jcc.24289</a>.
  short: M. Witte, U. Gerstmann, A. Neuba, G. Henkel, W.G. Schmidt, Journal of Computational
    Chemistry 37 (2016) 1005–1018.
date_created: 2019-09-30T12:17:57Z
date_updated: 2025-12-05T10:22:42Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '2'
- _id: '305'
- _id: '27'
- _id: '230'
doi: 10.1002/jcc.24289
intvolume: '        37'
language:
- iso: eng
page: 1005-1018
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of Computational Chemistry
publication_identifier:
  issn:
  - 0192-8651
publication_status: published
status: public
title: Density functional theory of the CuA-like Cu2S2 diamond core in Cu 2II(NGuaS)2Cl2
type: journal_article
user_id: '16199'
volume: 37
year: '2016'
...
---
_id: '13481'
author:
- first_name: Eric
  full_name: Jeckelmann, Eric
  last_name: Jeckelmann
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Eugen
  full_name: Speiser, Eugen
  last_name: Speiser
- first_name: Norbert
  full_name: Esser, Norbert
  last_name: Esser
citation:
  ama: Jeckelmann E, Sanna S, Schmidt WG, Speiser E, Esser N. Grand canonical Peierls
    transition in In/Si(111). <i>Physical Review B</i>. 2016;93(24). doi:<a href="https://doi.org/10.1103/physrevb.93.241407">10.1103/physrevb.93.241407</a>
  apa: Jeckelmann, E., Sanna, S., Schmidt, W. G., Speiser, E., &#38; Esser, N. (2016).
    Grand canonical Peierls transition in In/Si(111). <i>Physical Review B</i>, <i>93</i>(24).
    <a href="https://doi.org/10.1103/physrevb.93.241407">https://doi.org/10.1103/physrevb.93.241407</a>
  bibtex: '@article{Jeckelmann_Sanna_Schmidt_Speiser_Esser_2016, title={Grand canonical
    Peierls transition in In/Si(111)}, volume={93}, DOI={<a href="https://doi.org/10.1103/physrevb.93.241407">10.1103/physrevb.93.241407</a>},
    number={24}, journal={Physical Review B}, author={Jeckelmann, Eric and Sanna,
    Simone and Schmidt, Wolf Gero and Speiser, Eugen and Esser, Norbert}, year={2016}
    }'
  chicago: Jeckelmann, Eric, Simone Sanna, Wolf Gero Schmidt, Eugen Speiser, and Norbert
    Esser. “Grand Canonical Peierls Transition in In/Si(111).” <i>Physical Review
    B</i> 93, no. 24 (2016). <a href="https://doi.org/10.1103/physrevb.93.241407">https://doi.org/10.1103/physrevb.93.241407</a>.
  ieee: 'E. Jeckelmann, S. Sanna, W. G. Schmidt, E. Speiser, and N. Esser, “Grand
    canonical Peierls transition in In/Si(111),” <i>Physical Review B</i>, vol. 93,
    no. 24, 2016, doi: <a href="https://doi.org/10.1103/physrevb.93.241407">10.1103/physrevb.93.241407</a>.'
  mla: Jeckelmann, Eric, et al. “Grand Canonical Peierls Transition in In/Si(111).”
    <i>Physical Review B</i>, vol. 93, no. 24, 2016, doi:<a href="https://doi.org/10.1103/physrevb.93.241407">10.1103/physrevb.93.241407</a>.
  short: E. Jeckelmann, S. Sanna, W.G. Schmidt, E. Speiser, N. Esser, Physical Review
    B 93 (2016).
date_created: 2019-09-30T11:51:43Z
date_updated: 2025-12-05T10:23:31Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.93.241407
funded_apc: '1'
intvolume: '        93'
issue: '24'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
status: public
title: Grand canonical Peierls transition in In/Si(111)
type: journal_article
user_id: '16199'
volume: 93
year: '2016'
...
---
_id: '13478'
author:
- first_name: E.
  full_name: Speiser, E.
  last_name: Speiser
- first_name: N.
  full_name: Esser, N.
  last_name: Esser
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Speiser E, Esser N, Wippermann S, Schmidt WG. Surface vibrational Raman modes
    of In:Si(111)(4×1)and(8×2)nanowires. <i>Physical Review B</i>. 2016;94(7). doi:<a
    href="https://doi.org/10.1103/physrevb.94.075417">10.1103/physrevb.94.075417</a>
  apa: Speiser, E., Esser, N., Wippermann, S., &#38; Schmidt, W. G. (2016). Surface
    vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires. <i>Physical Review
    B</i>, <i>94</i>(7). <a href="https://doi.org/10.1103/physrevb.94.075417">https://doi.org/10.1103/physrevb.94.075417</a>
  bibtex: '@article{Speiser_Esser_Wippermann_Schmidt_2016, title={Surface vibrational
    Raman modes of In:Si(111)(4×1)and(8×2)nanowires}, volume={94}, DOI={<a href="https://doi.org/10.1103/physrevb.94.075417">10.1103/physrevb.94.075417</a>},
    number={7}, journal={Physical Review B}, author={Speiser, E. and Esser, N. and
    Wippermann, S. and Schmidt, Wolf Gero}, year={2016} }'
  chicago: Speiser, E., N. Esser, S. Wippermann, and Wolf Gero Schmidt. “Surface Vibrational
    Raman Modes of In:Si(111)(4×1)and(8×2)Nanowires.” <i>Physical Review B</i> 94,
    no. 7 (2016). <a href="https://doi.org/10.1103/physrevb.94.075417">https://doi.org/10.1103/physrevb.94.075417</a>.
  ieee: 'E. Speiser, N. Esser, S. Wippermann, and W. G. Schmidt, “Surface vibrational
    Raman modes of In:Si(111)(4×1)and(8×2)nanowires,” <i>Physical Review B</i>, vol.
    94, no. 7, 2016, doi: <a href="https://doi.org/10.1103/physrevb.94.075417">10.1103/physrevb.94.075417</a>.'
  mla: Speiser, E., et al. “Surface Vibrational Raman Modes of In:Si(111)(4×1)and(8×2)Nanowires.”
    <i>Physical Review B</i>, vol. 94, no. 7, 2016, doi:<a href="https://doi.org/10.1103/physrevb.94.075417">10.1103/physrevb.94.075417</a>.
  short: E. Speiser, N. Esser, S. Wippermann, W.G. Schmidt, Physical Review B 94 (2016).
date_created: 2019-09-30T11:36:41Z
date_updated: 2025-12-05T10:24:54Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.94.075417
intvolume: '        94'
issue: '7'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
status: public
title: Surface vibrational Raman modes of In:Si(111)(4×1)and(8×2)nanowires
type: journal_article
user_id: '16199'
volume: 94
year: '2016'
...
---
_id: '13488'
author:
- first_name: I.
  full_name: Miccoli, I.
  last_name: Miccoli
- first_name: F.
  full_name: Edler, F.
  last_name: Edler
- first_name: H.
  full_name: Pfnür, H.
  last_name: Pfnür
- first_name: S.
  full_name: Appelfeller, S.
  last_name: Appelfeller
- first_name: M.
  full_name: Dähne, M.
  last_name: Dähne
- first_name: K.
  full_name: Holtgrewe, K.
  last_name: Holtgrewe
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: C.
  full_name: Tegenkamp, C.
  last_name: Tegenkamp
citation:
  ama: Miccoli I, Edler F, Pfnür H, et al. Atomic size effects studied by transport
    in single silicide nanowires. <i>Physical Review B</i>. Published online 2016.
    doi:<a href="https://doi.org/10.1103/physrevb.93.125412">10.1103/physrevb.93.125412</a>
  apa: Miccoli, I., Edler, F., Pfnür, H., Appelfeller, S., Dähne, M., Holtgrewe, K.,
    Sanna, S., Schmidt, W. G., &#38; Tegenkamp, C. (2016). Atomic size effects studied
    by transport in single silicide nanowires. <i>Physical Review B</i>. <a href="https://doi.org/10.1103/physrevb.93.125412">https://doi.org/10.1103/physrevb.93.125412</a>
  bibtex: '@article{Miccoli_Edler_Pfnür_Appelfeller_Dähne_Holtgrewe_Sanna_Schmidt_Tegenkamp_2016,
    title={Atomic size effects studied by transport in single silicide nanowires},
    DOI={<a href="https://doi.org/10.1103/physrevb.93.125412">10.1103/physrevb.93.125412</a>},
    journal={Physical Review B}, author={Miccoli, I. and Edler, F. and Pfnür, H. and
    Appelfeller, S. and Dähne, M. and Holtgrewe, K. and Sanna, S. and Schmidt, Wolf
    Gero and Tegenkamp, C.}, year={2016} }'
  chicago: Miccoli, I., F. Edler, H. Pfnür, S. Appelfeller, M. Dähne, K. Holtgrewe,
    S. Sanna, Wolf Gero Schmidt, and C. Tegenkamp. “Atomic Size Effects Studied by
    Transport in Single Silicide Nanowires.” <i>Physical Review B</i>, 2016. <a href="https://doi.org/10.1103/physrevb.93.125412">https://doi.org/10.1103/physrevb.93.125412</a>.
  ieee: 'I. Miccoli <i>et al.</i>, “Atomic size effects studied by transport in single
    silicide nanowires,” <i>Physical Review B</i>, 2016, doi: <a href="https://doi.org/10.1103/physrevb.93.125412">10.1103/physrevb.93.125412</a>.'
  mla: Miccoli, I., et al. “Atomic Size Effects Studied by Transport in Single Silicide
    Nanowires.” <i>Physical Review B</i>, 2016, doi:<a href="https://doi.org/10.1103/physrevb.93.125412">10.1103/physrevb.93.125412</a>.
  short: I. Miccoli, F. Edler, H. Pfnür, S. Appelfeller, M. Dähne, K. Holtgrewe, S.
    Sanna, W.G. Schmidt, C. Tegenkamp, Physical Review B (2016).
date_created: 2019-09-30T12:19:46Z
date_updated: 2025-12-05T10:21:51Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.93.125412
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
status: public
title: Atomic size effects studied by transport in single silicide nanowires
type: journal_article
user_id: '16199'
year: '2016'
...
---
_id: '13458'
author:
- first_name: M.
  full_name: Liebhaber, M.
  last_name: Liebhaber
- first_name: B.
  full_name: Halbig, B.
  last_name: Halbig
- first_name: U.
  full_name: Bass, U.
  last_name: Bass
- first_name: J.
  full_name: Geurts, J.
  last_name: Geurts
- first_name: Sergej
  full_name: Neufeld, Sergej
  id: '23261'
  last_name: Neufeld
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: E.
  full_name: Speiser, E.
  last_name: Speiser
- first_name: J.
  full_name: Räthel, J.
  last_name: Räthel
- first_name: S.
  full_name: Chandola, S.
  last_name: Chandola
- first_name: N.
  full_name: Esser, N.
  last_name: Esser
citation:
  ama: Liebhaber M, Halbig B, Bass U, et al. Vibration eigenmodes of the Au-(5×2)/Si(111)
    surface studied by Raman spectroscopy and first-principles calculations. <i>Physical
    Review B</i>. 2016;94(23). doi:<a href="https://doi.org/10.1103/physrevb.94.235304">10.1103/physrevb.94.235304</a>
  apa: Liebhaber, M., Halbig, B., Bass, U., Geurts, J., Neufeld, S., Sanna, S., Schmidt,
    W. G., Speiser, E., Räthel, J., Chandola, S., &#38; Esser, N. (2016). Vibration
    eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy and first-principles
    calculations. <i>Physical Review B</i>, <i>94</i>(23). <a href="https://doi.org/10.1103/physrevb.94.235304">https://doi.org/10.1103/physrevb.94.235304</a>
  bibtex: '@article{Liebhaber_Halbig_Bass_Geurts_Neufeld_Sanna_Schmidt_Speiser_Räthel_Chandola_et
    al._2016, title={Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied
    by Raman spectroscopy and first-principles calculations}, volume={94}, DOI={<a
    href="https://doi.org/10.1103/physrevb.94.235304">10.1103/physrevb.94.235304</a>},
    number={23}, journal={Physical Review B}, author={Liebhaber, M. and Halbig, B.
    and Bass, U. and Geurts, J. and Neufeld, Sergej and Sanna, S. and Schmidt, Wolf
    Gero and Speiser, E. and Räthel, J. and Chandola, S. and et al.}, year={2016}
    }'
  chicago: Liebhaber, M., B. Halbig, U. Bass, J. Geurts, Sergej Neufeld, S. Sanna,
    Wolf Gero Schmidt, et al. “Vibration Eigenmodes of the Au-(5×2)/Si(111) Surface
    Studied by Raman Spectroscopy and First-Principles Calculations.” <i>Physical
    Review B</i> 94, no. 23 (2016). <a href="https://doi.org/10.1103/physrevb.94.235304">https://doi.org/10.1103/physrevb.94.235304</a>.
  ieee: 'M. Liebhaber <i>et al.</i>, “Vibration eigenmodes of the Au-(5×2)/Si(111)
    surface studied by Raman spectroscopy and first-principles calculations,” <i>Physical
    Review B</i>, vol. 94, no. 23, 2016, doi: <a href="https://doi.org/10.1103/physrevb.94.235304">10.1103/physrevb.94.235304</a>.'
  mla: Liebhaber, M., et al. “Vibration Eigenmodes of the Au-(5×2)/Si(111) Surface
    Studied by Raman Spectroscopy and First-Principles Calculations.” <i>Physical
    Review B</i>, vol. 94, no. 23, 2016, doi:<a href="https://doi.org/10.1103/physrevb.94.235304">10.1103/physrevb.94.235304</a>.
  short: M. Liebhaber, B. Halbig, U. Bass, J. Geurts, S. Neufeld, S. Sanna, W.G. Schmidt,
    E. Speiser, J. Räthel, S. Chandola, N. Esser, Physical Review B 94 (2016).
date_created: 2019-09-30T08:22:04Z
date_updated: 2025-12-05T10:28:47Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '35'
- _id: '27'
doi: 10.1103/physrevb.94.235304
intvolume: '        94'
issue: '23'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
status: public
title: Vibration eigenmodes of the Au-(5×2)/Si(111) surface studied by Raman spectroscopy
  and first-principles calculations
type: journal_article
user_id: '16199'
volume: 94
year: '2016'
...
---
_id: '13459'
abstract:
- lang: eng
  text: <p>We report a combined experiment-theory study on low energy vibrational
    modes in fluorescence spectra of perylene-3,4,9,10-tetracarboxylic acid dianhydride
    (PTCDA) molecules.</p>
author:
- first_name: A.
  full_name: Paulheim, A.
  last_name: Paulheim
- first_name: C.
  full_name: Marquardt, C.
  last_name: Marquardt
- first_name: M.
  full_name: Sokolowski, M.
  last_name: Sokolowski
- first_name: M.
  full_name: Hochheim, M.
  last_name: Hochheim
- first_name: T.
  full_name: Bredow, T.
  last_name: Bredow
- first_name: Hazem
  full_name: Aldahhak, Hazem
  last_name: Aldahhak
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Paulheim A, Marquardt C, Sokolowski M, et al. Surface induced vibrational modes
    in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces.
    <i>Physical Chemistry Chemical Physics</i>. 2016;18:32891-32902. doi:<a href="https://doi.org/10.1039/c6cp05661j">10.1039/c6cp05661j</a>
  apa: Paulheim, A., Marquardt, C., Sokolowski, M., Hochheim, M., Bredow, T., Aldahhak,
    H., Rauls, E., &#38; Schmidt, W. G. (2016). Surface induced vibrational modes
    in the fluorescence spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces.
    <i>Physical Chemistry Chemical Physics</i>, <i>18</i>, 32891–32902. <a href="https://doi.org/10.1039/c6cp05661j">https://doi.org/10.1039/c6cp05661j</a>
  bibtex: '@article{Paulheim_Marquardt_Sokolowski_Hochheim_Bredow_Aldahhak_Rauls_Schmidt_2016,
    title={Surface induced vibrational modes in the fluorescence spectra of PTCDA
    adsorbed on the KCl(100) and NaCl(100) surfaces}, volume={18}, DOI={<a href="https://doi.org/10.1039/c6cp05661j">10.1039/c6cp05661j</a>},
    journal={Physical Chemistry Chemical Physics}, author={Paulheim, A. and Marquardt,
    C. and Sokolowski, M. and Hochheim, M. and Bredow, T. and Aldahhak, Hazem and
    Rauls, E. and Schmidt, Wolf Gero}, year={2016}, pages={32891–32902} }'
  chicago: 'Paulheim, A., C. Marquardt, M. Sokolowski, M. Hochheim, T. Bredow, Hazem
    Aldahhak, E. Rauls, and Wolf Gero Schmidt. “Surface Induced Vibrational Modes
    in the Fluorescence Spectra of PTCDA Adsorbed on the KCl(100) and NaCl(100) Surfaces.”
    <i>Physical Chemistry Chemical Physics</i> 18 (2016): 32891–902. <a href="https://doi.org/10.1039/c6cp05661j">https://doi.org/10.1039/c6cp05661j</a>.'
  ieee: 'A. Paulheim <i>et al.</i>, “Surface induced vibrational modes in the fluorescence
    spectra of PTCDA adsorbed on the KCl(100) and NaCl(100) surfaces,” <i>Physical
    Chemistry Chemical Physics</i>, vol. 18, pp. 32891–32902, 2016, doi: <a href="https://doi.org/10.1039/c6cp05661j">10.1039/c6cp05661j</a>.'
  mla: Paulheim, A., et al. “Surface Induced Vibrational Modes in the Fluorescence
    Spectra of PTCDA Adsorbed on the KCl(100) and NaCl(100) Surfaces.” <i>Physical
    Chemistry Chemical Physics</i>, vol. 18, 2016, pp. 32891–902, doi:<a href="https://doi.org/10.1039/c6cp05661j">10.1039/c6cp05661j</a>.
  short: A. Paulheim, C. Marquardt, M. Sokolowski, M. Hochheim, T. Bredow, H. Aldahhak,
    E. Rauls, W.G. Schmidt, Physical Chemistry Chemical Physics 18 (2016) 32891–32902.
date_created: 2019-09-30T08:27:16Z
date_updated: 2025-12-05T10:27:17Z
department:
- _id: '15'
- _id: '295'
- _id: '170'
- _id: '35'
- _id: '230'
doi: 10.1039/c6cp05661j
intvolume: '        18'
language:
- iso: eng
page: 32891-32902
publication: Physical Chemistry Chemical Physics
publication_identifier:
  issn:
  - 1463-9076
  - 1463-9084
publication_status: published
status: public
title: Surface induced vibrational modes in the fluorescence spectra of PTCDA adsorbed
  on the KCl(100) and NaCl(100) surfaces
type: journal_article
user_id: '16199'
volume: 18
year: '2016'
...
---
_id: '13475'
author:
- first_name: F.
  full_name: Timmer, F.
  last_name: Timmer
- first_name: R.
  full_name: Oelke, R.
  last_name: Oelke
- first_name: C.
  full_name: Dues, C.
  last_name: Dues
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: M.
  full_name: Franz, M.
  last_name: Franz
- first_name: S.
  full_name: Appelfeller, S.
  last_name: Appelfeller
- first_name: M.
  full_name: Dähne, M.
  last_name: Dähne
- first_name: J.
  full_name: Wollschläger, J.
  last_name: Wollschläger
citation:
  ama: Timmer F, Oelke R, Dues C, et al. Strain-induced quasi-one-dimensional rare-earth
    silicide structures on Si(111). <i>Physical Review B</i>. 2016;94(20). doi:<a
    href="https://doi.org/10.1103/physrevb.94.205431">10.1103/physrevb.94.205431</a>
  apa: Timmer, F., Oelke, R., Dues, C., Sanna, S., Schmidt, W. G., Franz, M., Appelfeller,
    S., Dähne, M., &#38; Wollschläger, J. (2016). Strain-induced quasi-one-dimensional
    rare-earth silicide structures on Si(111). <i>Physical Review B</i>, <i>94</i>(20).
    <a href="https://doi.org/10.1103/physrevb.94.205431">https://doi.org/10.1103/physrevb.94.205431</a>
  bibtex: '@article{Timmer_Oelke_Dues_Sanna_Schmidt_Franz_Appelfeller_Dähne_Wollschläger_2016,
    title={Strain-induced quasi-one-dimensional rare-earth silicide structures on
    Si(111)}, volume={94}, DOI={<a href="https://doi.org/10.1103/physrevb.94.205431">10.1103/physrevb.94.205431</a>},
    number={20}, journal={Physical Review B}, author={Timmer, F. and Oelke, R. and
    Dues, C. and Sanna, S. and Schmidt, Wolf Gero and Franz, M. and Appelfeller, S.
    and Dähne, M. and Wollschläger, J.}, year={2016} }'
  chicago: Timmer, F., R. Oelke, C. Dues, S. Sanna, Wolf Gero Schmidt, M. Franz, S.
    Appelfeller, M. Dähne, and J. Wollschläger. “Strain-Induced Quasi-One-Dimensional
    Rare-Earth Silicide Structures on Si(111).” <i>Physical Review B</i> 94, no. 20
    (2016). <a href="https://doi.org/10.1103/physrevb.94.205431">https://doi.org/10.1103/physrevb.94.205431</a>.
  ieee: 'F. Timmer <i>et al.</i>, “Strain-induced quasi-one-dimensional rare-earth
    silicide structures on Si(111),” <i>Physical Review B</i>, vol. 94, no. 20, 2016,
    doi: <a href="https://doi.org/10.1103/physrevb.94.205431">10.1103/physrevb.94.205431</a>.'
  mla: Timmer, F., et al. “Strain-Induced Quasi-One-Dimensional Rare-Earth Silicide
    Structures on Si(111).” <i>Physical Review B</i>, vol. 94, no. 20, 2016, doi:<a
    href="https://doi.org/10.1103/physrevb.94.205431">10.1103/physrevb.94.205431</a>.
  short: F. Timmer, R. Oelke, C. Dues, S. Sanna, W.G. Schmidt, M. Franz, S. Appelfeller,
    M. Dähne, J. Wollschläger, Physical Review B 94 (2016).
date_created: 2019-09-30T11:28:43Z
date_updated: 2025-12-05T10:26:40Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.94.205431
intvolume: '        94'
issue: '20'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
status: public
title: Strain-induced quasi-one-dimensional rare-earth silicide structures on Si(111)
type: journal_article
user_id: '16199'
volume: 94
year: '2016'
...
---
_id: '13910'
article_number: '34847'
author:
- first_name: Xuekai
  full_name: Ma, Xuekai
  id: '59416'
  last_name: Ma
- first_name: Rodislav
  full_name: Driben, Rodislav
  last_name: Driben
- first_name: Boris A.
  full_name: Malomed, Boris A.
  last_name: Malomed
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
citation:
  ama: Ma X, Driben R, Malomed BA, Meier T, Schumacher S. Two-dimensional symbiotic
    solitons and vortices in binary condensates with attractive cross-species interaction.
    <i>Scientific Reports</i>. 2016;6. doi:<a href="https://doi.org/10.1038/srep34847">10.1038/srep34847</a>
  apa: Ma, X., Driben, R., Malomed, B. A., Meier, T., &#38; Schumacher, S. (2016).
    Two-dimensional symbiotic solitons and vortices in binary condensates with attractive
    cross-species interaction. <i>Scientific Reports</i>, <i>6</i>, Article 34847.
    <a href="https://doi.org/10.1038/srep34847">https://doi.org/10.1038/srep34847</a>
  bibtex: '@article{Ma_Driben_Malomed_Meier_Schumacher_2016, title={Two-dimensional
    symbiotic solitons and vortices in binary condensates with attractive cross-species
    interaction}, volume={6}, DOI={<a href="https://doi.org/10.1038/srep34847">10.1038/srep34847</a>},
    number={34847}, journal={Scientific Reports}, author={Ma, Xuekai and Driben, Rodislav
    and Malomed, Boris A. and Meier, Torsten and Schumacher, Stefan}, year={2016}
    }'
  chicago: Ma, Xuekai, Rodislav Driben, Boris A. Malomed, Torsten Meier, and Stefan
    Schumacher. “Two-Dimensional Symbiotic Solitons and Vortices in Binary Condensates
    with Attractive Cross-Species Interaction.” <i>Scientific Reports</i> 6 (2016).
    <a href="https://doi.org/10.1038/srep34847">https://doi.org/10.1038/srep34847</a>.
  ieee: 'X. Ma, R. Driben, B. A. Malomed, T. Meier, and S. Schumacher, “Two-dimensional
    symbiotic solitons and vortices in binary condensates with attractive cross-species
    interaction,” <i>Scientific Reports</i>, vol. 6, Art. no. 34847, 2016, doi: <a
    href="https://doi.org/10.1038/srep34847">10.1038/srep34847</a>.'
  mla: Ma, Xuekai, et al. “Two-Dimensional Symbiotic Solitons and Vortices in Binary
    Condensates with Attractive Cross-Species Interaction.” <i>Scientific Reports</i>,
    vol. 6, 34847, 2016, doi:<a href="https://doi.org/10.1038/srep34847">10.1038/srep34847</a>.
  short: X. Ma, R. Driben, B.A. Malomed, T. Meier, S. Schumacher, Scientific Reports
    6 (2016).
date_created: 2019-10-18T08:16:22Z
date_updated: 2025-12-05T13:52:02Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '297'
- _id: '705'
- _id: '230'
- _id: '429'
- _id: '35'
doi: 10.1038/srep34847
funded_apc: '1'
intvolume: '         6'
language:
- iso: eng
project:
- _id: '53'
  name: TRR 142
- _id: '54'
  name: TRR 142 - Project Area A
- _id: '60'
  name: TRR 142 - Subproject A3
- _id: '59'
  name: TRR 142 - Subproject A2
- _id: '61'
  name: TRR 142 - Subproject A4
- _id: '56'
  name: TRR 142 - Project Area C
- _id: '64'
  name: TRR 142 - Subproject A7
- _id: '72'
  name: TRR 142 - Subproject C2
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
publication: Scientific Reports
publication_identifier:
  issn:
  - 2045-2322
publication_status: published
status: public
title: Two-dimensional symbiotic solitons and vortices in binary condensates with
  attractive cross-species interaction
type: journal_article
user_id: '16199'
volume: 6
year: '2016'
...
---
_id: '4185'
abstract:
- lang: eng
  text: "Semiconductor quantum-dot cavity systems are promising sources for solid-state-based
    on-demand generation\r\nof single photons for quantum communication. Commonly,
    the spectral characteristics of the emitted single\r\nphoton are fixed by system
    properties such as electronic transition energies and spectral properties of the
    cavity.\r\nIn the present work we study cavity-enhanced single-photon generation
    from the quantum-dot biexciton through\r\na partly stimulated nondegenerate two-photon
    emission. We show that frequency and linewidth of the single\r\nphoton can be
    fully controlled by the stimulating laser pulse, ultimately allowing for efficient
    all-optical spectral\r\nshaping of the single photon."
article_type: original
author:
- first_name: D.
  full_name: Breddermann, D.
  last_name: Breddermann
- first_name: D.
  full_name: Heinze, D.
  last_name: Heinze
- first_name: R.
  full_name: Binder, R.
  last_name: Binder
- first_name: Artur
  full_name: Zrenner, Artur
  id: '606'
  last_name: Zrenner
  orcid: 0000-0002-5190-0944
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
citation:
  ama: Breddermann D, Heinze D, Binder R, Zrenner A, Schumacher S. All-optical tailoring
    of single-photon spectra in a quantum-dot microcavity system. <i>Physical Review
    B</i>. 2016;94(16). doi:<a href="https://doi.org/10.1103/physrevb.94.165310">10.1103/physrevb.94.165310</a>
  apa: Breddermann, D., Heinze, D., Binder, R., Zrenner, A., &#38; Schumacher, S.
    (2016). All-optical tailoring of single-photon spectra in a quantum-dot microcavity
    system. <i>Physical Review B</i>, <i>94</i>(16). <a href="https://doi.org/10.1103/physrevb.94.165310">https://doi.org/10.1103/physrevb.94.165310</a>
  bibtex: '@article{Breddermann_Heinze_Binder_Zrenner_Schumacher_2016, title={All-optical
    tailoring of single-photon spectra in a quantum-dot microcavity system}, volume={94},
    DOI={<a href="https://doi.org/10.1103/physrevb.94.165310">10.1103/physrevb.94.165310</a>},
    number={16}, journal={Physical Review B}, publisher={American Physical Society
    (APS)}, author={Breddermann, D. and Heinze, D. and Binder, R. and Zrenner, Artur
    and Schumacher, Stefan}, year={2016} }'
  chicago: Breddermann, D., D. Heinze, R. Binder, Artur Zrenner, and Stefan Schumacher.
    “All-Optical Tailoring of Single-Photon Spectra in a Quantum-Dot Microcavity System.”
    <i>Physical Review B</i> 94, no. 16 (2016). <a href="https://doi.org/10.1103/physrevb.94.165310">https://doi.org/10.1103/physrevb.94.165310</a>.
  ieee: 'D. Breddermann, D. Heinze, R. Binder, A. Zrenner, and S. Schumacher, “All-optical
    tailoring of single-photon spectra in a quantum-dot microcavity system,” <i>Physical
    Review B</i>, vol. 94, no. 16, 2016, doi: <a href="https://doi.org/10.1103/physrevb.94.165310">10.1103/physrevb.94.165310</a>.'
  mla: Breddermann, D., et al. “All-Optical Tailoring of Single-Photon Spectra in
    a Quantum-Dot Microcavity System.” <i>Physical Review B</i>, vol. 94, no. 16,
    American Physical Society (APS), 2016, doi:<a href="https://doi.org/10.1103/physrevb.94.165310">10.1103/physrevb.94.165310</a>.
  short: D. Breddermann, D. Heinze, R. Binder, A. Zrenner, S. Schumacher, Physical
    Review B 94 (2016).
date_created: 2018-08-28T09:58:07Z
date_updated: 2025-12-05T14:40:02Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
- _id: '170'
- _id: '297'
- _id: '429'
doi: 10.1103/physrevb.94.165310
intvolume: '        94'
issue: '16'
language:
- iso: eng
project:
- _id: '53'
  name: TRR 142
- _id: '54'
  name: TRR 142 - Project Area A
- _id: '60'
  name: TRR 142 - Subproject A3
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
publisher: American Physical Society (APS)
status: public
title: All-optical tailoring of single-photon spectra in a quantum-dot microcavity
  system
type: journal_article
user_id: '16199'
volume: 94
year: '2016'
...
---
_id: '15854'
author:
- first_name: Przemyslaw
  full_name: Lewandowski, Przemyslaw
  last_name: Lewandowski
- first_name: Ombline
  full_name: Lafont, Ombline
  last_name: Lafont
- first_name: Emmanuel
  full_name: Baudin, Emmanuel
  last_name: Baudin
- first_name: Chris K. P.
  full_name: Chan, Chris K. P.
  last_name: Chan
- first_name: P. T.
  full_name: Leung, P. T.
  last_name: Leung
- first_name: Samuel M. H.
  full_name: Luk, Samuel M. H.
  last_name: Luk
- first_name: Elisabeth
  full_name: Galopin, Elisabeth
  last_name: Galopin
- first_name: Aristide
  full_name: Lemaître, Aristide
  last_name: Lemaître
- first_name: Jacqueline
  full_name: Bloch, Jacqueline
  last_name: Bloch
- first_name: Jerome
  full_name: Tignon, Jerome
  last_name: Tignon
- first_name: Philippe
  full_name: Roussignol, Philippe
  last_name: Roussignol
- first_name: N. H.
  full_name: Kwong, N. H.
  last_name: Kwong
- first_name: Rolf
  full_name: Binder, Rolf
  last_name: Binder
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
citation:
  ama: Lewandowski P, Lafont O, Baudin E, et al. Polarization dependence of nonlinear
    wave mixing of spinor polaritons in semiconductor microcavities. <i>Physical Review
    B</i>. Published online 2016. doi:<a href="https://doi.org/10.1103/physrevb.94.045308">10.1103/physrevb.94.045308</a>
  apa: Lewandowski, P., Lafont, O., Baudin, E., Chan, C. K. P., Leung, P. T., Luk,
    S. M. H., Galopin, E., Lemaître, A., Bloch, J., Tignon, J., Roussignol, P., Kwong,
    N. H., Binder, R., &#38; Schumacher, S. (2016). Polarization dependence of nonlinear
    wave mixing of spinor polaritons in semiconductor microcavities. <i>Physical Review
    B</i>. <a href="https://doi.org/10.1103/physrevb.94.045308">https://doi.org/10.1103/physrevb.94.045308</a>
  bibtex: '@article{Lewandowski_Lafont_Baudin_Chan_Leung_Luk_Galopin_Lemaître_Bloch_Tignon_et
    al._2016, title={Polarization dependence of nonlinear wave mixing of spinor polaritons
    in semiconductor microcavities}, DOI={<a href="https://doi.org/10.1103/physrevb.94.045308">10.1103/physrevb.94.045308</a>},
    journal={Physical Review B}, author={Lewandowski, Przemyslaw and Lafont, Ombline
    and Baudin, Emmanuel and Chan, Chris K. P. and Leung, P. T. and Luk, Samuel M.
    H. and Galopin, Elisabeth and Lemaître, Aristide and Bloch, Jacqueline and Tignon,
    Jerome and et al.}, year={2016} }'
  chicago: Lewandowski, Przemyslaw, Ombline Lafont, Emmanuel Baudin, Chris K. P. Chan,
    P. T. Leung, Samuel M. H. Luk, Elisabeth Galopin, et al. “Polarization Dependence
    of Nonlinear Wave Mixing of Spinor Polaritons in Semiconductor Microcavities.”
    <i>Physical Review B</i>, 2016. <a href="https://doi.org/10.1103/physrevb.94.045308">https://doi.org/10.1103/physrevb.94.045308</a>.
  ieee: 'P. Lewandowski <i>et al.</i>, “Polarization dependence of nonlinear wave
    mixing of spinor polaritons in semiconductor microcavities,” <i>Physical Review
    B</i>, 2016, doi: <a href="https://doi.org/10.1103/physrevb.94.045308">10.1103/physrevb.94.045308</a>.'
  mla: Lewandowski, Przemyslaw, et al. “Polarization Dependence of Nonlinear Wave
    Mixing of Spinor Polaritons in Semiconductor Microcavities.” <i>Physical Review
    B</i>, 2016, doi:<a href="https://doi.org/10.1103/physrevb.94.045308">10.1103/physrevb.94.045308</a>.
  short: P. Lewandowski, O. Lafont, E. Baudin, C.K.P. Chan, P.T. Leung, S.M.H. Luk,
    E. Galopin, A. Lemaître, J. Bloch, J. Tignon, P. Roussignol, N.H. Kwong, R. Binder,
    S. Schumacher, Physical Review B (2016).
date_created: 2020-02-10T11:42:53Z
date_updated: 2025-12-05T14:41:37Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.94.045308
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
status: public
title: Polarization dependence of nonlinear wave mixing of spinor polaritons in semiconductor
  microcavities
type: journal_article
user_id: '16199'
year: '2016'
...
