---
_id: '13199'
author:
- first_name: Win
  full_name: Nuding, Win
  last_name: Nuding
- first_name: Andreas
  full_name: Klümper, Andreas
  last_name: Klümper
- first_name: Ara
  full_name: Sedrakyan, Ara
  last_name: Sedrakyan
citation:
  ama: 'Nuding W, Klümper A, Sedrakyan A. Localization Length Index and Subleading
    Corrections in a Chalker-Coddington Model: A Numerical Study. <i>Physical Review
    B</i>. 2015;91:115107. doi:<a href="https://doi.org/10.1103/PhysRevB.91.115107">10.1103/PhysRevB.91.115107</a>'
  apa: 'Nuding, W., Klümper, A., &#38; Sedrakyan, A. (2015). Localization Length Index
    and Subleading Corrections in a Chalker-Coddington Model: A Numerical Study. <i>Physical
    Review B</i>, <i>91</i>, 115107. <a href="https://doi.org/10.1103/PhysRevB.91.115107">https://doi.org/10.1103/PhysRevB.91.115107</a>'
  bibtex: '@article{Nuding_Klümper_Sedrakyan_2015, title={Localization Length Index
    and Subleading Corrections in a Chalker-Coddington Model: A Numerical Study},
    volume={91}, DOI={<a href="https://doi.org/10.1103/PhysRevB.91.115107">10.1103/PhysRevB.91.115107</a>},
    journal={Physical Review B}, author={Nuding, Win and Klümper, Andreas and Sedrakyan,
    Ara}, year={2015}, pages={115107} }'
  chicago: 'Nuding, Win, Andreas Klümper, and Ara Sedrakyan. “Localization Length
    Index and Subleading Corrections in a Chalker-Coddington Model: A Numerical Study.”
    <i>Physical Review B</i> 91 (2015): 115107. <a href="https://doi.org/10.1103/PhysRevB.91.115107">https://doi.org/10.1103/PhysRevB.91.115107</a>.'
  ieee: 'W. Nuding, A. Klümper, and A. Sedrakyan, “Localization Length Index and Subleading
    Corrections in a Chalker-Coddington Model: A Numerical Study,” <i>Physical Review
    B</i>, vol. 91, p. 115107, 2015.'
  mla: 'Nuding, Win, et al. “Localization Length Index and Subleading Corrections
    in a Chalker-Coddington Model: A Numerical Study.” <i>Physical Review B</i>, vol.
    91, 2015, p. 115107, doi:<a href="https://doi.org/10.1103/PhysRevB.91.115107">10.1103/PhysRevB.91.115107</a>.'
  short: W. Nuding, A. Klümper, A. Sedrakyan, Physical Review B 91 (2015) 115107.
date_created: 2019-09-13T07:04:00Z
date_updated: 2022-01-06T06:51:30Z
doi: 10.1103/PhysRevB.91.115107
intvolume: '        91'
language:
- iso: eng
page: '115107'
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
status: public
title: 'Localization Length Index and Subleading Corrections in a Chalker-Coddington
  Model: A Numerical Study'
type: journal_article
user_id: '40778'
volume: 91
year: '2015'
...
---
_id: '10027'
author:
- first_name: M.
  full_name: Landmann, M.
  last_name: Landmann
- 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. D.
  full_name: Neumann, M. D.
  last_name: Neumann
- first_name: E.
  full_name: Speiser, E.
  last_name: Speiser
- first_name: N.
  full_name: Esser, N.
  last_name: Esser
citation:
  ama: 'Landmann M, Rauls E, Schmidt WG, Neumann MD, Speiser E, Esser N. GaNm-plane:
    Atomic structure, surface bands, and optical response. <i>Physical Review B</i>.
    2015. doi:<a href="https://doi.org/10.1103/physrevb.91.035302">10.1103/physrevb.91.035302</a>'
  apa: 'Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., &#38;
    Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response.
    <i>Physical Review B</i>. <a href="https://doi.org/10.1103/physrevb.91.035302">https://doi.org/10.1103/physrevb.91.035302</a>'
  bibtex: '@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane:
    Atomic structure, surface bands, and optical response}, DOI={<a href="https://doi.org/10.1103/physrevb.91.035302">10.1103/physrevb.91.035302</a>},
    journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf
    Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }'
  chicago: 'Landmann, M., E. Rauls, Wolf Gero Schmidt, M. D. Neumann, E. Speiser,
    and N. Esser. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.”
    <i>Physical Review B</i>, 2015. <a href="https://doi.org/10.1103/physrevb.91.035302">https://doi.org/10.1103/physrevb.91.035302</a>.'
  ieee: 'M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser,
    “GaNm-plane: Atomic structure, surface bands, and optical response,” <i>Physical
    Review B</i>, 2015.'
  mla: 'Landmann, M., et al. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical
    Response.” <i>Physical Review B</i>, 2015, doi:<a href="https://doi.org/10.1103/physrevb.91.035302">10.1103/physrevb.91.035302</a>.'
  short: M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser,
    Physical Review B (2015).
date_created: 2019-05-29T07:58:04Z
date_updated: 2022-01-06T06:50:26Z
department:
- _id: '15'
doi: 10.1103/physrevb.91.035302
language:
- iso: eng
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
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: 'GaNm-plane: Atomic structure, surface bands, and optical response'
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '10029'
author:
- first_name: Christian
  full_name: Braun, Christian
  id: '28675'
  last_name: Braun
  orcid: 0000-0002-3224-2683
- 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
citation:
  ama: Braun C, Sanna S, Schmidt WG. Liquid Crystal (8CB) Molecular Adsorption on
    Lithium Niobate Z-Cut Surfaces. <i>The Journal of Physical Chemistry C</i>. 2015:9342-9346.
    doi:<a href="https://doi.org/10.1021/acs.jpcc.5b00894">10.1021/acs.jpcc.5b00894</a>
  apa: Braun, C., Sanna, S., &#38; Schmidt, W. G. (2015). Liquid Crystal (8CB) Molecular
    Adsorption on Lithium Niobate Z-Cut Surfaces. <i>The Journal of Physical Chemistry
    C</i>, 9342–9346. <a href="https://doi.org/10.1021/acs.jpcc.5b00894">https://doi.org/10.1021/acs.jpcc.5b00894</a>
  bibtex: '@article{Braun_Sanna_Schmidt_2015, title={Liquid Crystal (8CB) Molecular
    Adsorption on Lithium Niobate Z-Cut Surfaces}, DOI={<a href="https://doi.org/10.1021/acs.jpcc.5b00894">10.1021/acs.jpcc.5b00894</a>},
    journal={The Journal of Physical Chemistry C}, author={Braun, Christian and Sanna,
    Simone and Schmidt, Wolf Gero}, year={2015}, pages={9342–9346} }'
  chicago: Braun, Christian, Simone Sanna, and Wolf Gero Schmidt. “Liquid Crystal
    (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces.” <i>The Journal
    of Physical Chemistry C</i>, 2015, 9342–46. <a href="https://doi.org/10.1021/acs.jpcc.5b00894">https://doi.org/10.1021/acs.jpcc.5b00894</a>.
  ieee: C. Braun, S. Sanna, and W. G. Schmidt, “Liquid Crystal (8CB) Molecular Adsorption
    on Lithium Niobate Z-Cut Surfaces,” <i>The Journal of Physical Chemistry C</i>,
    pp. 9342–9346, 2015.
  mla: Braun, Christian, et al. “Liquid Crystal (8CB) Molecular Adsorption on Lithium
    Niobate Z-Cut Surfaces.” <i>The Journal of Physical Chemistry C</i>, 2015, pp.
    9342–46, doi:<a href="https://doi.org/10.1021/acs.jpcc.5b00894">10.1021/acs.jpcc.5b00894</a>.
  short: C. Braun, S. Sanna, W.G. Schmidt, The Journal of Physical Chemistry C (2015)
    9342–9346.
date_created: 2019-05-29T08:37:53Z
date_updated: 2022-01-06T06:50:26Z
department:
- _id: '15'
doi: 10.1021/acs.jpcc.5b00894
funded_apc: '1'
language:
- iso: eng
page: 9342-9346
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
publication: The Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
  - 1932-7455
publication_status: published
status: public
title: Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '10031'
author:
- first_name: Yanlu
  full_name: Li, Yanlu
  last_name: Li
- 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: Li Y, Schmidt WG, Sanna S. Defect complexes in congruentLiNbO3and their optical
    signatures. <i>Physical Review B</i>. 2015. doi:<a href="https://doi.org/10.1103/physrevb.91.174106">10.1103/physrevb.91.174106</a>
  apa: Li, Y., Schmidt, W. G., &#38; Sanna, S. (2015). Defect complexes in congruentLiNbO3and
    their optical signatures. <i>Physical Review B</i>. <a href="https://doi.org/10.1103/physrevb.91.174106">https://doi.org/10.1103/physrevb.91.174106</a>
  bibtex: '@article{Li_Schmidt_Sanna_2015, title={Defect complexes in congruentLiNbO3and
    their optical signatures}, DOI={<a href="https://doi.org/10.1103/physrevb.91.174106">10.1103/physrevb.91.174106</a>},
    journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero and Sanna,
    Simone}, year={2015} }'
  chicago: Li, Yanlu, Wolf Gero Schmidt, and Simone Sanna. “Defect Complexes in CongruentLiNbO3and
    Their Optical Signatures.” <i>Physical Review B</i>, 2015. <a href="https://doi.org/10.1103/physrevb.91.174106">https://doi.org/10.1103/physrevb.91.174106</a>.
  ieee: Y. Li, W. G. Schmidt, and S. Sanna, “Defect complexes in congruentLiNbO3and
    their optical signatures,” <i>Physical Review B</i>, 2015.
  mla: Li, Yanlu, et al. “Defect Complexes in CongruentLiNbO3and Their Optical Signatures.”
    <i>Physical Review B</i>, 2015, doi:<a href="https://doi.org/10.1103/physrevb.91.174106">10.1103/physrevb.91.174106</a>.
  short: Y. Li, W.G. Schmidt, S. Sanna, Physical Review B (2015).
date_created: 2019-05-29T08:42:52Z
date_updated: 2022-01-06T06:50:27Z
department:
- _id: '15'
doi: 10.1103/physrevb.91.174106
language:
- iso: eng
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
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Defect complexes in congruentLiNbO3and their optical signatures
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '10033'
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
citation:
  ama: Sanna S, Dues C, Schmidt WG. Modeling atomic force microscopy at LiNbO 3 surfaces
    from first-principles. <i>Computational Materials Science</i>. 2015:145-150. doi:<a
    href="https://doi.org/10.1016/j.commatsci.2015.03.025">10.1016/j.commatsci.2015.03.025</a>
  apa: Sanna, S., Dues, C., &#38; Schmidt, W. G. (2015). Modeling atomic force microscopy
    at LiNbO 3 surfaces from first-principles. <i>Computational Materials Science</i>,
    145–150. <a href="https://doi.org/10.1016/j.commatsci.2015.03.025">https://doi.org/10.1016/j.commatsci.2015.03.025</a>
  bibtex: '@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy
    at LiNbO 3 surfaces from first-principles}, DOI={<a href="https://doi.org/10.1016/j.commatsci.2015.03.025">10.1016/j.commatsci.2015.03.025</a>},
    journal={Computational Materials Science}, author={Sanna, S. and Dues, C. and
    Schmidt, Wolf Gero}, year={2015}, pages={145–150} }'
  chicago: Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy
    at LiNbO 3 Surfaces from First-Principles.” <i>Computational Materials Science</i>,
    2015, 145–50. <a href="https://doi.org/10.1016/j.commatsci.2015.03.025">https://doi.org/10.1016/j.commatsci.2015.03.025</a>.
  ieee: S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at
    LiNbO 3 surfaces from first-principles,” <i>Computational Materials Science</i>,
    pp. 145–150, 2015.
  mla: Sanna, S., et al. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from
    First-Principles.” <i>Computational Materials Science</i>, 2015, pp. 145–50, doi:<a
    href="https://doi.org/10.1016/j.commatsci.2015.03.025">10.1016/j.commatsci.2015.03.025</a>.
  short: S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science (2015) 145–150.
date_created: 2019-05-29T08:50:16Z
date_updated: 2022-01-06T06:50:27Z
department:
- _id: '15'
doi: 10.1016/j.commatsci.2015.03.025
language:
- iso: eng
page: 145-150
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
publication: Computational Materials Science
publication_identifier:
  issn:
  - 0927-0256
publication_status: published
status: public
title: Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '4332'
abstract:
- lang: eng
  text: LiTaO3 and LiNbO3 crystals are investigated here in a combined experimental
    and theoretical study that uses Raman spectroscopy in a complete set of scattering
    geometries and corresponding density-functional theory calculations to provide
    microscopic information on their vibrational properties. The Raman scattering
    efficiency is computed from first principles in order to univocally assign the
    measured Raman peaks to the calculated eigenvectors. Measured and calculated Raman
    spectra are shown to be in qualitative agreement and confirm the mode assignment
    by Margueron et al. [J. Appl. Phys. 111, 104105 (2012)], thus finally settling
    a long debate. While the two crystals show rather similar vibrational properties
    overall, the E-TO9 mode is markedly different in the two oxides. The deviations
    are explained by a different anion-cation bond type in LiTaO3 and LiNbO3 crystals.
article_type: original
author:
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Sergej
  full_name: Neufeld, Sergej
  id: '23261'
  last_name: Neufeld
- first_name: Michael
  full_name: Rüsing, Michael
  id: '22501'
  last_name: Rüsing
  orcid: 0000-0003-4682-4577
- first_name: Gerhard
  full_name: Berth, Gerhard
  id: '53'
  last_name: Berth
- first_name: Artur
  full_name: Zrenner, Artur
  id: '606'
  last_name: Zrenner
  orcid: 0000-0002-5190-0944
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Sanna S, Neufeld S, Rüsing M, Berth G, Zrenner A, Schmidt WG. Raman scattering
    efficiency in LiTaO3 and LiNbO3 crystals. <i>Physical Review B</i>. 2015;91(22).
    doi:<a href="https://doi.org/10.1103/physrevb.91.224302">10.1103/physrevb.91.224302</a>
  apa: Sanna, S., Neufeld, S., Rüsing, M., Berth, G., Zrenner, A., &#38; Schmidt,
    W. G. (2015). Raman scattering efficiency in LiTaO3 and LiNbO3 crystals. <i>Physical
    Review B</i>, <i>91</i>(22). <a href="https://doi.org/10.1103/physrevb.91.224302">https://doi.org/10.1103/physrevb.91.224302</a>
  bibtex: '@article{Sanna_Neufeld_Rüsing_Berth_Zrenner_Schmidt_2015, title={Raman
    scattering efficiency in LiTaO3 and LiNbO3 crystals}, volume={91}, DOI={<a href="https://doi.org/10.1103/physrevb.91.224302">10.1103/physrevb.91.224302</a>},
    number={22}, journal={Physical Review B}, publisher={American Physical Society
    (APS)}, author={Sanna, Simone and Neufeld, Sergej and Rüsing, Michael and Berth,
    Gerhard and Zrenner, Artur and Schmidt, Wolf Gero}, year={2015} }'
  chicago: Sanna, Simone, Sergej Neufeld, Michael Rüsing, Gerhard Berth, Artur Zrenner,
    and Wolf Gero Schmidt. “Raman Scattering Efficiency in LiTaO3 and LiNbO3 Crystals.”
    <i>Physical Review B</i> 91, no. 22 (2015). <a href="https://doi.org/10.1103/physrevb.91.224302">https://doi.org/10.1103/physrevb.91.224302</a>.
  ieee: 'S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, and W. G. Schmidt,
    “Raman scattering efficiency in LiTaO3 and LiNbO3 crystals,” <i>Physical Review
    B</i>, vol. 91, no. 22, 2015, doi: <a href="https://doi.org/10.1103/physrevb.91.224302">10.1103/physrevb.91.224302</a>.'
  mla: Sanna, Simone, et al. “Raman Scattering Efficiency in LiTaO3 and LiNbO3 Crystals.”
    <i>Physical Review B</i>, vol. 91, no. 22, American Physical Society (APS), 2015,
    doi:<a href="https://doi.org/10.1103/physrevb.91.224302">10.1103/physrevb.91.224302</a>.
  short: S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, W.G. Schmidt, Physical
    Review B 91 (2015).
date_created: 2018-08-30T13:51:38Z
date_updated: 2023-10-11T07:25:58Z
department:
- _id: '15'
- _id: '230'
doi: 10.1103/physrevb.91.224302
funded_apc: '1'
intvolume: '        91'
issue: '22'
language:
- iso: eng
project:
- _id: '53'
  grant_number: '231447078'
  name: TRR 142
- _id: '55'
  name: TRR 142 - Project Area B
- _id: '68'
  grant_number: '231447078'
  name: TRR 142 - Subproject B3
- _id: '69'
  grant_number: '231447078'
  name: TRR 142 - Subproject B4
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Raman scattering efficiency in LiTaO3 and LiNbO3 crystals
type: journal_article
user_id: '22501'
volume: 91
year: '2015'
...
---
_id: '13935'
abstract:
- lang: eng
  text: Recently, a new class of nonlinear systems was introduced, in which the self-trapping
    of fundamental and vortical localized modes in space of dimension D is supported
    by cubic self-repulsion with a strength growing as a function of the distance
    from the center, r, at any rate faster that rD. These systems support robust 2D
    and 3D modes which either do not exist or are unstable in other nonlinear systems.
    Here we demonstrate a possibility to create solitary vortices in this setting
    by applying a phase-imprinting torque to the ground state. Initially, a strong
    torque completely destroys the ground state. However, contrary to usual systems,
    where the destruction is irreversible, the present ones demonstrate a rapid restabilization
    and the creation of one or several shifted vortices orbiting the center. For the
    sake of comparison, we show analytically that, in the linear system with a 3D
    trapping potential, the action of a torque on the ground state is inefficient
    and creates only even-vorticity states with a small probability.
article_number: '9420'
author:
- first_name: Rodislav
  full_name: Driben, Rodislav
  last_name: Driben
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
- first_name: Boris A.
  full_name: Malomed, Boris A.
  last_name: Malomed
citation:
  ama: Driben R, Meier T, Malomed BA. Creation of vortices by torque in multidimensional
    media with inhomogeneous defocusing nonlinearity. <i>Scientific Reports</i>. 2015;5.
    doi:<a href="https://doi.org/10.1038/srep09420">10.1038/srep09420</a>
  apa: Driben, R., Meier, T., &#38; Malomed, B. A. (2015). Creation of vortices by
    torque in multidimensional media with inhomogeneous defocusing nonlinearity. <i>Scientific
    Reports</i>, <i>5</i>, Article 9420. <a href="https://doi.org/10.1038/srep09420">https://doi.org/10.1038/srep09420</a>
  bibtex: '@article{Driben_Meier_Malomed_2015, title={Creation of vortices by torque
    in multidimensional media with inhomogeneous defocusing nonlinearity}, volume={5},
    DOI={<a href="https://doi.org/10.1038/srep09420">10.1038/srep09420</a>}, number={9420},
    journal={Scientific Reports}, author={Driben, Rodislav and Meier, Torsten and
    Malomed, Boris A.}, year={2015} }'
  chicago: Driben, Rodislav, Torsten Meier, and Boris A. Malomed. “Creation of Vortices
    by Torque in Multidimensional Media with Inhomogeneous Defocusing Nonlinearity.”
    <i>Scientific Reports</i> 5 (2015). <a href="https://doi.org/10.1038/srep09420">https://doi.org/10.1038/srep09420</a>.
  ieee: 'R. Driben, T. Meier, and B. A. Malomed, “Creation of vortices by torque in
    multidimensional media with inhomogeneous defocusing nonlinearity,” <i>Scientific
    Reports</i>, vol. 5, Art. no. 9420, 2015, doi: <a href="https://doi.org/10.1038/srep09420">10.1038/srep09420</a>.'
  mla: Driben, Rodislav, et al. “Creation of Vortices by Torque in Multidimensional
    Media with Inhomogeneous Defocusing Nonlinearity.” <i>Scientific Reports</i>,
    vol. 5, 9420, 2015, doi:<a href="https://doi.org/10.1038/srep09420">10.1038/srep09420</a>.
  short: R. Driben, T. Meier, B.A. Malomed, Scientific Reports 5 (2015).
date_created: 2019-10-18T10:55:40Z
date_updated: 2023-04-16T21:38:58Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1038/srep09420
funded_apc: '1'
intvolume: '         5'
language:
- iso: eng
project:
- _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'
publication: Scientific Reports
publication_identifier:
  issn:
  - 2045-2322
publication_status: published
status: public
title: Creation of vortices by torque in multidimensional media with inhomogeneous
  defocusing nonlinearity
type: journal_article
user_id: '49063'
volume: 5
year: '2015'
...
---
_id: '22950'
article_number: 93611U
author:
- first_name: Reinold
  full_name: Podzimski, Reinold
  last_name: Podzimski
- first_name: Huynh T.
  full_name: Duc, Huynh T.
  last_name: Duc
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
citation:
  ama: 'Podzimski R, Duc HT, Meier T. Time-domain calculations of shift currents in
    bulk GaAs. In: Betz M, Elezzabi AY, Tsen K-T, eds. <i>SPIE Proceedings Vol. 9361:
    Ultrafast Phenomena and Nanophotonics XIX</i>. Vol 9361. SPIE Proceedings. SPIE;
    2015. doi:<a href="https://doi.org/10.1117/12.2078123">10.1117/12.2078123</a>'
  apa: 'Podzimski, R., Duc, H. T., &#38; Meier, T. (2015). Time-domain calculations
    of shift currents in bulk GaAs. In M. Betz, A. Y. Elezzabi, &#38; K.-T. Tsen (Eds.),
    <i>SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX</i> (No.
    93611U; Vol. 9361). SPIE. <a href="https://doi.org/10.1117/12.2078123">https://doi.org/10.1117/12.2078123</a>'
  bibtex: '@inproceedings{Podzimski_Duc_Meier_2015, series={SPIE Proceedings}, title={Time-domain
    calculations of shift currents in bulk GaAs}, volume={9361}, DOI={<a href="https://doi.org/10.1117/12.2078123">10.1117/12.2078123</a>},
    number={93611U}, booktitle={SPIE Proceedings Vol. 9361: Ultrafast Phenomena and
    Nanophotonics XIX}, publisher={SPIE}, author={Podzimski, Reinold and Duc, Huynh
    T. and Meier, Torsten}, editor={Betz, Markus and Elezzabi, Abdulhakem Y. and Tsen,
    Kong-Thon}, year={2015}, collection={SPIE Proceedings} }'
  chicago: 'Podzimski, Reinold, Huynh T. Duc, and Torsten Meier. “Time-Domain Calculations
    of Shift Currents in Bulk GaAs.” In <i>SPIE Proceedings Vol. 9361: Ultrafast Phenomena
    and Nanophotonics XIX</i>, edited by Markus Betz, Abdulhakem Y. Elezzabi, and
    Kong-Thon Tsen, Vol. 9361. SPIE Proceedings. SPIE, 2015. <a href="https://doi.org/10.1117/12.2078123">https://doi.org/10.1117/12.2078123</a>.'
  ieee: 'R. Podzimski, H. T. Duc, and T. Meier, “Time-domain calculations of shift
    currents in bulk GaAs,” in <i>SPIE Proceedings Vol. 9361: Ultrafast Phenomena
    and Nanophotonics XIX</i>, 2015, vol. 9361, doi: <a href="https://doi.org/10.1117/12.2078123">10.1117/12.2078123</a>.'
  mla: 'Podzimski, Reinold, et al. “Time-Domain Calculations of Shift Currents in
    Bulk GaAs.” <i>SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics
    XIX</i>, edited by Markus Betz et al., vol. 9361, 93611U, SPIE, 2015, doi:<a href="https://doi.org/10.1117/12.2078123">10.1117/12.2078123</a>.'
  short: 'R. Podzimski, H.T. Duc, T. Meier, in: M. Betz, A.Y. Elezzabi, K.-T. Tsen
    (Eds.), SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX,
    SPIE, 2015.'
date_created: 2021-08-06T08:54:36Z
date_updated: 2023-04-16T21:42:04Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1117/12.2078123
editor:
- first_name: Markus
  full_name: Betz, Markus
  last_name: Betz
- first_name: Abdulhakem Y.
  full_name: Elezzabi, Abdulhakem Y.
  last_name: Elezzabi
- first_name: Kong-Thon
  full_name: Tsen, Kong-Thon
  last_name: Tsen
intvolume: '      9361'
language:
- iso: eng
project:
- _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'
publication: 'SPIE Proceedings Vol. 9361: Ultrafast Phenomena and Nanophotonics XIX'
publication_status: published
publisher: SPIE
series_title: SPIE Proceedings
status: public
title: Time-domain calculations of shift currents in bulk GaAs
type: conference
user_id: '49063'
volume: 9361
year: '2015'
...
---
_id: '10030'
abstract:
- lang: eng
  text: The vibrational properties of stoichiometric LiNbO3 are analyzed within density-functional
    perturbation theory in order to obtain the complete phonon dispersion of the material.
    The phonon density of states of the ferroelectric (paraelectric) phase shows two
    (one) distinct band gaps separating the high-frequency (~800 cm−1) optical branches
    from the continuum of acoustic and lower optical phonon states. This result leads
    to specific heat capacites in close agreement with experimental measurements in
    the range 0–350 K and a Debye temperature of 574 K. The calculated zero-point
    renormalization of the electronic Kohn–Sham eigenvalues reveals a strong dependence
    on the phonon wave vectors, especially near Γ. Integrated over all phonon modes,
    our results indicate a vibrational correction of the electronic band gap of 0.41 eV
    at 0 K, which is in excellent agreement with the extrapolated temperature-dependent
    measurements.
article_number: '385402'
article_type: original
author:
- first_name: Michael
  full_name: Friedrich, Michael
  last_name: Friedrich
- first_name: Arthur
  full_name: Riefer, Arthur
  last_name: Riefer
- 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: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
citation:
  ama: 'Friedrich M, Riefer A, Sanna S, Schmidt WG, Schindlmayr A. Phonon dispersion
    and zero-point renormalization of LiNbO3 from density-functional perturbation
    theory. <i>Journal of Physics: Condensed Matter</i>. 2015;27(38). doi:<a href="https://doi.org/10.1088/0953-8984/27/38/385402">10.1088/0953-8984/27/38/385402</a>'
  apa: 'Friedrich, M., Riefer, A., Sanna, S., Schmidt, W. G., &#38; Schindlmayr, A.
    (2015). Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional
    perturbation theory. <i>Journal of Physics: Condensed Matter</i>, <i>27</i>(38),
    Article 385402. <a href="https://doi.org/10.1088/0953-8984/27/38/385402">https://doi.org/10.1088/0953-8984/27/38/385402</a>'
  bibtex: '@article{Friedrich_Riefer_Sanna_Schmidt_Schindlmayr_2015, title={Phonon
    dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation
    theory}, volume={27}, DOI={<a href="https://doi.org/10.1088/0953-8984/27/38/385402">10.1088/0953-8984/27/38/385402</a>},
    number={38385402}, journal={Journal of Physics: Condensed Matter}, publisher={IOP
    Publishing}, author={Friedrich, Michael and Riefer, Arthur and Sanna, Simone and
    Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2015} }'
  chicago: 'Friedrich, Michael, Arthur Riefer, Simone Sanna, Wolf Gero Schmidt, and
    Arno Schindlmayr. “Phonon Dispersion and Zero-Point Renormalization of LiNbO3
    from Density-Functional Perturbation Theory.” <i>Journal of Physics: Condensed
    Matter</i> 27, no. 38 (2015). <a href="https://doi.org/10.1088/0953-8984/27/38/385402">https://doi.org/10.1088/0953-8984/27/38/385402</a>.'
  ieee: 'M. Friedrich, A. Riefer, S. Sanna, W. G. Schmidt, and A. Schindlmayr, “Phonon
    dispersion and zero-point renormalization of LiNbO3 from density-functional perturbation
    theory,” <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 38, Art. no.
    385402, 2015, doi: <a href="https://doi.org/10.1088/0953-8984/27/38/385402">10.1088/0953-8984/27/38/385402</a>.'
  mla: 'Friedrich, Michael, et al. “Phonon Dispersion and Zero-Point Renormalization
    of LiNbO3 from Density-Functional Perturbation Theory.” <i>Journal of Physics:
    Condensed Matter</i>, vol. 27, no. 38, 385402, IOP Publishing, 2015, doi:<a href="https://doi.org/10.1088/0953-8984/27/38/385402">10.1088/0953-8984/27/38/385402</a>.'
  short: 'M. Friedrich, A. Riefer, S. Sanna, W.G. Schmidt, A. Schindlmayr, Journal
    of Physics: Condensed Matter 27 (2015).'
date_created: 2019-05-29T08:41:18Z
date_updated: 2025-12-05T10:00:42Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '15'
- _id: '35'
- _id: '27'
doi: 10.1088/0953-8984/27/38/385402
external_id:
  isi:
  - '000362549700004'
  pmid:
  - '26337951'
file:
- access_level: closed
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-28T14:24:23Z
  date_updated: 2020-08-30T14:46:56Z
  description: © 2015 IOP Publishing Ltd
  file_id: '18578'
  file_name: Friedrich_2015_J._Phys. _Condens._Matter_27_385402.pdf
  file_size: 1793430
  relation: main_file
  title: Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional
    perturbation theory
file_date_updated: 2020-08-30T14:46:56Z
has_accepted_license: '1'
intvolume: '        27'
isi: '1'
issue: '38'
language:
- iso: eng
pmid: '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: 'Journal of Physics: Condensed Matter'
publication_identifier:
  eissn:
  - 1361-648X
  issn:
  - 0953-8984
publication_status: published
publisher: IOP Publishing
quality_controlled: '1'
status: public
title: Phonon dispersion and zero-point renormalization of LiNbO3 from density-functional
  perturbation theory
type: journal_article
user_id: '16199'
volume: 27
year: '2015'
...
---
_id: '13493'
author:
- first_name: Stefan
  full_name: Müllegger, Stefan
  last_name: Müllegger
- 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: Stefano
  full_name: Tebi, Stefano
  last_name: Tebi
- first_name: Giulia
  full_name: Serrano, Giulia
  last_name: Serrano
- first_name: Stefan
  full_name: Wiespointner-Baumgarthuber, Stefan
  last_name: Wiespointner-Baumgarthuber
- 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
citation:
  ama: Müllegger S, Rauls E, Gerstmann U, et al. Mechanism for nuclear and electron
    spin excitation by radio frequency current. <i>Physical Review B</i>. 2015;92(22).
    doi:<a href="https://doi.org/10.1103/physrevb.92.220418">10.1103/physrevb.92.220418</a>
  apa: Müllegger, S., Rauls, E., Gerstmann, U., Tebi, S., Serrano, G., Wiespointner-Baumgarthuber,
    S., Schmidt, W. G., &#38; Koch, R. (2015). Mechanism for nuclear and electron
    spin excitation by radio frequency current. <i>Physical Review B</i>, <i>92</i>(22).
    <a href="https://doi.org/10.1103/physrevb.92.220418">https://doi.org/10.1103/physrevb.92.220418</a>
  bibtex: '@article{Müllegger_Rauls_Gerstmann_Tebi_Serrano_Wiespointner-Baumgarthuber_Schmidt_Koch_2015,
    title={Mechanism for nuclear and electron spin excitation by radio frequency current},
    volume={92}, DOI={<a href="https://doi.org/10.1103/physrevb.92.220418">10.1103/physrevb.92.220418</a>},
    number={22}, journal={Physical Review B}, author={Müllegger, Stefan and Rauls,
    Eva and Gerstmann, Uwe and Tebi, Stefano and Serrano, Giulia and Wiespointner-Baumgarthuber,
    Stefan and Schmidt, Wolf Gero and Koch, Reinhold}, year={2015} }'
  chicago: Müllegger, Stefan, Eva Rauls, Uwe Gerstmann, Stefano Tebi, Giulia Serrano,
    Stefan Wiespointner-Baumgarthuber, Wolf Gero Schmidt, and Reinhold Koch. “Mechanism
    for Nuclear and Electron Spin Excitation by Radio Frequency Current.” <i>Physical
    Review B</i> 92, no. 22 (2015). <a href="https://doi.org/10.1103/physrevb.92.220418">https://doi.org/10.1103/physrevb.92.220418</a>.
  ieee: 'S. Müllegger <i>et al.</i>, “Mechanism for nuclear and electron spin excitation
    by radio frequency current,” <i>Physical Review B</i>, vol. 92, no. 22, 2015,
    doi: <a href="https://doi.org/10.1103/physrevb.92.220418">10.1103/physrevb.92.220418</a>.'
  mla: Müllegger, Stefan, et al. “Mechanism for Nuclear and Electron Spin Excitation
    by Radio Frequency Current.” <i>Physical Review B</i>, vol. 92, no. 22, 2015,
    doi:<a href="https://doi.org/10.1103/physrevb.92.220418">10.1103/physrevb.92.220418</a>.
  short: S. Müllegger, E. Rauls, U. Gerstmann, S. Tebi, G. Serrano, S. Wiespointner-Baumgarthuber,
    W.G. Schmidt, R. Koch, Physical Review B 92 (2015).
date_created: 2019-09-30T12:31:01Z
date_updated: 2025-12-05T10:20:23Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.92.220418
intvolume: '        92'
issue: '22'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Mechanism for nuclear and electron spin excitation by radio frequency current
type: journal_article
user_id: '16199'
volume: 92
year: '2015'
...
---
_id: '13496'
author:
- first_name: F.
  full_name: Edler, F.
  last_name: Edler
- first_name: I.
  full_name: Miccoli, I.
  last_name: Miccoli
- first_name: S.
  full_name: Demuth, S.
  last_name: Demuth
- first_name: H.
  full_name: Pfnür, H.
  last_name: Pfnür
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: A.
  full_name: Lücke, A.
  last_name: Lücke
- 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: Edler F, Miccoli I, Demuth S, et al. Interwire coupling forIn(4×1)/Si(111)
    probed by surface transport. <i>Physical Review B</i>. 2015;92(8). doi:<a href="https://doi.org/10.1103/physrevb.92.085426">10.1103/physrevb.92.085426</a>
  apa: Edler, F., Miccoli, I., Demuth, S., Pfnür, H., Wippermann, S., Lücke, A., Schmidt,
    W. G., &#38; Tegenkamp, C. (2015). Interwire coupling forIn(4×1)/Si(111) probed
    by surface transport. <i>Physical Review B</i>, <i>92</i>(8). <a href="https://doi.org/10.1103/physrevb.92.085426">https://doi.org/10.1103/physrevb.92.085426</a>
  bibtex: '@article{Edler_Miccoli_Demuth_Pfnür_Wippermann_Lücke_Schmidt_Tegenkamp_2015,
    title={Interwire coupling forIn(4×1)/Si(111) probed by surface transport}, volume={92},
    DOI={<a href="https://doi.org/10.1103/physrevb.92.085426">10.1103/physrevb.92.085426</a>},
    number={8}, journal={Physical Review B}, author={Edler, F. and Miccoli, I. and
    Demuth, S. and Pfnür, H. and Wippermann, S. and Lücke, A. and Schmidt, Wolf Gero
    and Tegenkamp, C.}, year={2015} }'
  chicago: Edler, F., I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, Wolf
    Gero Schmidt, and C. Tegenkamp. “Interwire Coupling ForIn(4×1)/Si(111) Probed
    by Surface Transport.” <i>Physical Review B</i> 92, no. 8 (2015). <a href="https://doi.org/10.1103/physrevb.92.085426">https://doi.org/10.1103/physrevb.92.085426</a>.
  ieee: 'F. Edler <i>et al.</i>, “Interwire coupling forIn(4×1)/Si(111) probed by
    surface transport,” <i>Physical Review B</i>, vol. 92, no. 8, 2015, doi: <a href="https://doi.org/10.1103/physrevb.92.085426">10.1103/physrevb.92.085426</a>.'
  mla: Edler, F., et al. “Interwire Coupling ForIn(4×1)/Si(111) Probed by Surface
    Transport.” <i>Physical Review B</i>, vol. 92, no. 8, 2015, doi:<a href="https://doi.org/10.1103/physrevb.92.085426">10.1103/physrevb.92.085426</a>.
  short: F. Edler, I. Miccoli, S. Demuth, H. Pfnür, S. Wippermann, A. Lücke, W.G.
    Schmidt, C. Tegenkamp, Physical Review B 92 (2015).
date_created: 2019-09-30T12:44:24Z
date_updated: 2025-12-05T10:18:45Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '35'
- _id: '27'
doi: 10.1103/physrevb.92.085426
funded_apc: '1'
intvolume: '        92'
issue: '8'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Interwire coupling forIn(4×1)/Si(111) probed by surface transport
type: journal_article
user_id: '16199'
volume: 92
year: '2015'
...
---
_id: '13495'
author:
- first_name: Hazem
  full_name: Aldahhak, Hazem
  id: '26687'
  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: Aldahhak H, Rauls E, Schmidt WG. Diindenoperylene adsorption on Cu(111) studied
    with density-functional theory. <i>Surface Science</i>. Published online 2015:260-265.
    doi:<a href="https://doi.org/10.1016/j.susc.2015.03.007">10.1016/j.susc.2015.03.007</a>
  apa: Aldahhak, H., Rauls, E., &#38; Schmidt, W. G. (2015). Diindenoperylene adsorption
    on Cu(111) studied with density-functional theory. <i>Surface Science</i>, 260–265.
    <a href="https://doi.org/10.1016/j.susc.2015.03.007">https://doi.org/10.1016/j.susc.2015.03.007</a>
  bibtex: '@article{Aldahhak_Rauls_Schmidt_2015, title={Diindenoperylene adsorption
    on Cu(111) studied with density-functional theory}, DOI={<a href="https://doi.org/10.1016/j.susc.2015.03.007">10.1016/j.susc.2015.03.007</a>},
    journal={Surface Science}, author={Aldahhak, Hazem and Rauls, E. and Schmidt,
    Wolf Gero}, year={2015}, pages={260–265} }'
  chicago: Aldahhak, Hazem, E. Rauls, and Wolf Gero Schmidt. “Diindenoperylene Adsorption
    on Cu(111) Studied with Density-Functional Theory.” <i>Surface Science</i>, 2015,
    260–65. <a href="https://doi.org/10.1016/j.susc.2015.03.007">https://doi.org/10.1016/j.susc.2015.03.007</a>.
  ieee: 'H. Aldahhak, E. Rauls, and W. G. Schmidt, “Diindenoperylene adsorption on
    Cu(111) studied with density-functional theory,” <i>Surface Science</i>, pp. 260–265,
    2015, doi: <a href="https://doi.org/10.1016/j.susc.2015.03.007">10.1016/j.susc.2015.03.007</a>.'
  mla: Aldahhak, Hazem, et al. “Diindenoperylene Adsorption on Cu(111) Studied with
    Density-Functional Theory.” <i>Surface Science</i>, 2015, pp. 260–65, doi:<a href="https://doi.org/10.1016/j.susc.2015.03.007">10.1016/j.susc.2015.03.007</a>.
  short: H. Aldahhak, E. Rauls, W.G. Schmidt, Surface Science (2015) 260–265.
date_created: 2019-09-30T12:42:43Z
date_updated: 2025-12-05T10:19:11Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.susc.2015.03.007
language:
- iso: eng
page: 260-265
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Surface Science
publication_identifier:
  issn:
  - 0039-6028
publication_status: published
status: public
title: Diindenoperylene adsorption on Cu(111) studied with density-functional theory
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '13494'
author:
- 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: E.
  full_name: Rauls, E.
  last_name: Rauls
citation:
  ama: Aldahhak H, Schmidt WG, Rauls E. Single PTCDA molecules on planar and stepped
    KCl and NaCl(100) surfaces. <i>Surface Science</i>. Published online 2015:278-281.
    doi:<a href="https://doi.org/10.1016/j.susc.2015.01.013">10.1016/j.susc.2015.01.013</a>
  apa: Aldahhak, H., Schmidt, W. G., &#38; Rauls, E. (2015). Single PTCDA molecules
    on planar and stepped KCl and NaCl(100) surfaces. <i>Surface Science</i>, 278–281.
    <a href="https://doi.org/10.1016/j.susc.2015.01.013">https://doi.org/10.1016/j.susc.2015.01.013</a>
  bibtex: '@article{Aldahhak_Schmidt_Rauls_2015, title={Single PTCDA molecules on
    planar and stepped KCl and NaCl(100) surfaces}, DOI={<a href="https://doi.org/10.1016/j.susc.2015.01.013">10.1016/j.susc.2015.01.013</a>},
    journal={Surface Science}, author={Aldahhak, Hazem and Schmidt, Wolf Gero and
    Rauls, E.}, year={2015}, pages={278–281} }'
  chicago: Aldahhak, Hazem, Wolf Gero Schmidt, and E. Rauls. “Single PTCDA Molecules
    on Planar and Stepped KCl and NaCl(100) Surfaces.” <i>Surface Science</i>, 2015,
    278–81. <a href="https://doi.org/10.1016/j.susc.2015.01.013">https://doi.org/10.1016/j.susc.2015.01.013</a>.
  ieee: 'H. Aldahhak, W. G. Schmidt, and E. Rauls, “Single PTCDA molecules on planar
    and stepped KCl and NaCl(100) surfaces,” <i>Surface Science</i>, pp. 278–281,
    2015, doi: <a href="https://doi.org/10.1016/j.susc.2015.01.013">10.1016/j.susc.2015.01.013</a>.'
  mla: Aldahhak, Hazem, et al. “Single PTCDA Molecules on Planar and Stepped KCl and
    NaCl(100) Surfaces.” <i>Surface Science</i>, 2015, pp. 278–81, doi:<a href="https://doi.org/10.1016/j.susc.2015.01.013">10.1016/j.susc.2015.01.013</a>.
  short: H. Aldahhak, W.G. Schmidt, E. Rauls, Surface Science (2015) 278–281.
date_created: 2019-09-30T12:40:38Z
date_updated: 2025-12-05T10:19:47Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.susc.2015.01.013
language:
- iso: eng
page: 278-281
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Surface Science
publication_identifier:
  issn:
  - 0039-6028
publication_status: published
status: public
title: Single PTCDA molecules on planar and stepped KCl and NaCl(100) surfaces
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '13502'
author:
- first_name: C.
  full_name: Klein, C.
  last_name: Klein
- first_name: N. J.
  full_name: Vollmers, N. J.
  last_name: Vollmers
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: P.
  full_name: Zahl, P.
  last_name: Zahl
- first_name: D.
  full_name: Lükermann, D.
  last_name: Lükermann
- first_name: G.
  full_name: Jnawali, G.
  last_name: Jnawali
- first_name: H.
  full_name: Pfnür, H.
  last_name: Pfnür
- first_name: C.
  full_name: Tegenkamp, C.
  last_name: Tegenkamp
- first_name: P.
  full_name: Sutter, P.
  last_name: Sutter
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: M.
  full_name: Horn-von Hoegen, M.
  last_name: Horn-von Hoegen
citation:
  ama: Klein C, Vollmers NJ, Gerstmann U, et al. Barrier-free subsurface incorporation
    of 3d metal atoms into Bi(111) films. <i>Physical Review B</i>. 2015;91(19). doi:<a
    href="https://doi.org/10.1103/physrevb.91.195441">10.1103/physrevb.91.195441</a>
  apa: Klein, C., Vollmers, N. J., Gerstmann, U., Zahl, P., Lükermann, D., Jnawali,
    G., Pfnür, H., Tegenkamp, C., Sutter, P., Schmidt, W. G., &#38; Horn-von Hoegen,
    M. (2015). Barrier-free subsurface incorporation of 3d metal atoms into Bi(111)
    films. <i>Physical Review B</i>, <i>91</i>(19). <a href="https://doi.org/10.1103/physrevb.91.195441">https://doi.org/10.1103/physrevb.91.195441</a>
  bibtex: '@article{Klein_Vollmers_Gerstmann_Zahl_Lükermann_Jnawali_Pfnür_Tegenkamp_Sutter_Schmidt_et
    al._2015, title={Barrier-free subsurface incorporation of 3d metal atoms into
    Bi(111) films}, volume={91}, DOI={<a href="https://doi.org/10.1103/physrevb.91.195441">10.1103/physrevb.91.195441</a>},
    number={19}, journal={Physical Review B}, author={Klein, C. and Vollmers, N. J.
    and Gerstmann, Uwe and Zahl, P. and Lükermann, D. and Jnawali, G. and Pfnür, H.
    and Tegenkamp, C. and Sutter, P. and Schmidt, Wolf Gero and et al.}, year={2015}
    }'
  chicago: Klein, C., N. J. Vollmers, Uwe Gerstmann, P. Zahl, D. Lükermann, G. Jnawali,
    H. Pfnür, et al. “Barrier-Free Subsurface Incorporation of 3d Metal Atoms into
    Bi(111) Films.” <i>Physical Review B</i> 91, no. 19 (2015). <a href="https://doi.org/10.1103/physrevb.91.195441">https://doi.org/10.1103/physrevb.91.195441</a>.
  ieee: 'C. Klein <i>et al.</i>, “Barrier-free subsurface incorporation of 3d metal
    atoms into Bi(111) films,” <i>Physical Review B</i>, vol. 91, no. 19, 2015, doi:
    <a href="https://doi.org/10.1103/physrevb.91.195441">10.1103/physrevb.91.195441</a>.'
  mla: Klein, C., et al. “Barrier-Free Subsurface Incorporation of 3d Metal Atoms
    into Bi(111) Films.” <i>Physical Review B</i>, vol. 91, no. 19, 2015, doi:<a href="https://doi.org/10.1103/physrevb.91.195441">10.1103/physrevb.91.195441</a>.
  short: C. Klein, N.J. Vollmers, U. Gerstmann, P. Zahl, D. Lükermann, G. Jnawali,
    H. Pfnür, C. Tegenkamp, P. Sutter, W.G. Schmidt, M. Horn-von Hoegen, Physical
    Review B 91 (2015).
date_created: 2019-09-30T13:01:01Z
date_updated: 2025-12-05T10:38:18Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.91.195441
funded_apc: '1'
intvolume: '        91'
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:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Barrier-free subsurface incorporation of 3d metal atoms into Bi(111) films
type: journal_article
user_id: '16199'
volume: 91
year: '2015'
...
---
_id: '13504'
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
citation:
  ama: Sanna S, Dues C, Schmidt WG. Modeling atomic force microscopy at LiNbO 3 surfaces
    from first-principles. <i>Computational Materials Science</i>. 2015;103:145-150.
    doi:<a href="https://doi.org/10.1016/j.commatsci.2015.03.025">10.1016/j.commatsci.2015.03.025</a>
  apa: Sanna, S., Dues, C., &#38; Schmidt, W. G. (2015). Modeling atomic force microscopy
    at LiNbO 3 surfaces from first-principles. <i>Computational Materials Science</i>,
    <i>103</i>, 145–150. <a href="https://doi.org/10.1016/j.commatsci.2015.03.025">https://doi.org/10.1016/j.commatsci.2015.03.025</a>
  bibtex: '@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy
    at LiNbO 3 surfaces from first-principles}, volume={103}, DOI={<a href="https://doi.org/10.1016/j.commatsci.2015.03.025">10.1016/j.commatsci.2015.03.025</a>},
    journal={Computational Materials Science}, author={Sanna, S. and Dues, C. and
    Schmidt, Wolf Gero}, year={2015}, pages={145–150} }'
  chicago: 'Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy
    at LiNbO 3 Surfaces from First-Principles.” <i>Computational Materials Science</i>
    103 (2015): 145–50. <a href="https://doi.org/10.1016/j.commatsci.2015.03.025">https://doi.org/10.1016/j.commatsci.2015.03.025</a>.'
  ieee: 'S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at
    LiNbO 3 surfaces from first-principles,” <i>Computational Materials Science</i>,
    vol. 103, pp. 145–150, 2015, doi: <a href="https://doi.org/10.1016/j.commatsci.2015.03.025">10.1016/j.commatsci.2015.03.025</a>.'
  mla: Sanna, S., et al. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from
    First-Principles.” <i>Computational Materials Science</i>, vol. 103, 2015, pp.
    145–50, doi:<a href="https://doi.org/10.1016/j.commatsci.2015.03.025">10.1016/j.commatsci.2015.03.025</a>.
  short: S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science 103 (2015)
    145–150.
date_created: 2019-09-30T13:06:04Z
date_updated: 2025-12-05T10:37:16Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.1016/j.commatsci.2015.03.025
intvolume: '       103'
language:
- iso: eng
page: 145-150
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: '68'
  name: TRR 142 - Subproject B3
- _id: '69'
  name: TRR 142 - Subproject B4
- _id: '53'
  name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
    zu funktionellen Strukturen'
publication: Computational Materials Science
publication_identifier:
  issn:
  - 0927-0256
publication_status: published
status: public
title: Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles
type: journal_article
user_id: '16199'
volume: 103
year: '2015'
...
---
_id: '13500'
author:
- first_name: A.
  full_name: Lücke, A.
  last_name: Lücke
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: F.
  full_name: Ortmann, F.
  last_name: Ortmann
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: Lücke A, Schmidt WG, Rauls E, Ortmann F, Gerstmann U. Influence of Structural
    Defects and Oxidation onto Hole Conductivity in P3HT. <i>The Journal of Physical
    Chemistry B</i>. 2015;119:6481-6491. doi:<a href="https://doi.org/10.1021/acs.jpcb.5b03615">10.1021/acs.jpcb.5b03615</a>
  apa: Lücke, A., Schmidt, W. G., Rauls, E., Ortmann, F., &#38; Gerstmann, U. (2015).
    Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.
    <i>The Journal of Physical Chemistry B</i>, <i>119</i>, 6481–6491. <a href="https://doi.org/10.1021/acs.jpcb.5b03615">https://doi.org/10.1021/acs.jpcb.5b03615</a>
  bibtex: '@article{Lücke_Schmidt_Rauls_Ortmann_Gerstmann_2015, title={Influence of
    Structural Defects and Oxidation onto Hole Conductivity in P3HT}, volume={119},
    DOI={<a href="https://doi.org/10.1021/acs.jpcb.5b03615">10.1021/acs.jpcb.5b03615</a>},
    journal={The Journal of Physical Chemistry B}, author={Lücke, A. and Schmidt,
    Wolf Gero and Rauls, E. and Ortmann, F. and Gerstmann, Uwe}, year={2015}, pages={6481–6491}
    }'
  chicago: 'Lücke, A., Wolf Gero Schmidt, E. Rauls, F. Ortmann, and Uwe Gerstmann.
    “Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT.”
    <i>The Journal of Physical Chemistry B</i> 119 (2015): 6481–91. <a href="https://doi.org/10.1021/acs.jpcb.5b03615">https://doi.org/10.1021/acs.jpcb.5b03615</a>.'
  ieee: 'A. Lücke, W. G. Schmidt, E. Rauls, F. Ortmann, and U. Gerstmann, “Influence
    of Structural Defects and Oxidation onto Hole Conductivity in P3HT,” <i>The Journal
    of Physical Chemistry B</i>, vol. 119, pp. 6481–6491, 2015, doi: <a href="https://doi.org/10.1021/acs.jpcb.5b03615">10.1021/acs.jpcb.5b03615</a>.'
  mla: Lücke, A., et al. “Influence of Structural Defects and Oxidation onto Hole
    Conductivity in P3HT.” <i>The Journal of Physical Chemistry B</i>, vol. 119, 2015,
    pp. 6481–91, doi:<a href="https://doi.org/10.1021/acs.jpcb.5b03615">10.1021/acs.jpcb.5b03615</a>.
  short: A. Lücke, W.G. Schmidt, E. Rauls, F. Ortmann, U. Gerstmann, The Journal of
    Physical Chemistry B 119 (2015) 6481–6491.
date_created: 2019-09-30T12:55:43Z
date_updated: 2025-12-05T10:38:44Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1021/acs.jpcb.5b03615
intvolume: '       119'
language:
- iso: eng
page: 6481-6491
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: Influence of Structural Defects and Oxidation onto Hole Conductivity in P3HT
type: journal_article
user_id: '16199'
volume: 119
year: '2015'
...
---
_id: '13507'
author:
- first_name: M.
  full_name: Landmann, M.
  last_name: Landmann
- 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. D.
  full_name: Neumann, M. D.
  last_name: Neumann
- first_name: E.
  full_name: Speiser, E.
  last_name: Speiser
- first_name: N.
  full_name: Esser, N.
  last_name: Esser
citation:
  ama: 'Landmann M, Rauls E, Schmidt WG, Neumann MD, Speiser E, Esser N. GaNm-plane:
    Atomic structure, surface bands, and optical response. <i>Physical Review B</i>.
    2015;91. doi:<a href="https://doi.org/10.1103/physrevb.91.035302">10.1103/physrevb.91.035302</a>'
  apa: 'Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., &#38;
    Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response.
    <i>Physical Review B</i>, <i>91</i>. <a href="https://doi.org/10.1103/physrevb.91.035302">https://doi.org/10.1103/physrevb.91.035302</a>'
  bibtex: '@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane:
    Atomic structure, surface bands, and optical response}, volume={91}, DOI={<a href="https://doi.org/10.1103/physrevb.91.035302">10.1103/physrevb.91.035302</a>},
    journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf
    Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }'
  chicago: 'Landmann, M., E. Rauls, Wolf Gero Schmidt, M. D. Neumann, E. Speiser,
    and N. Esser. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.”
    <i>Physical Review B</i> 91 (2015). <a href="https://doi.org/10.1103/physrevb.91.035302">https://doi.org/10.1103/physrevb.91.035302</a>.'
  ieee: 'M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser,
    “GaNm-plane: Atomic structure, surface bands, and optical response,” <i>Physical
    Review B</i>, vol. 91, 2015, doi: <a href="https://doi.org/10.1103/physrevb.91.035302">10.1103/physrevb.91.035302</a>.'
  mla: 'Landmann, M., et al. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical
    Response.” <i>Physical Review B</i>, vol. 91, 2015, doi:<a href="https://doi.org/10.1103/physrevb.91.035302">10.1103/physrevb.91.035302</a>.'
  short: M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser,
    Physical Review B 91 (2015).
date_created: 2019-09-30T13:24:00Z
date_updated: 2025-12-05T10:35:47Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.1103/physrevb.91.035302
intvolume: '        91'
language:
- iso: eng
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: '66'
  name: TRR 142 - Subproject B1
- _id: '69'
  name: TRR 142 - Subproject B4
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: 'GaNm-plane: Atomic structure, surface bands, and optical response'
type: journal_article
user_id: '16199'
volume: 91
year: '2015'
...
---
_id: '13498'
author:
- first_name: Martin
  full_name: Rohrmüller, Martin
  last_name: Rohrmüller
- first_name: Alexander
  full_name: Hoffmann, Alexander
  last_name: Hoffmann
- first_name: Christian
  full_name: Thierfelder, Christian
  last_name: Thierfelder
- first_name: Sonja
  full_name: Herres-Pawlis, Sonja
  last_name: Herres-Pawlis
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Rohrmüller M, Hoffmann A, Thierfelder C, Herres-Pawlis S, Schmidt WG. The
    Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species
    in density functional calculations†. <i>Journal of Computational Chemistry</i>.
    2015;36(21-22):1672-1685. doi:<a href="https://doi.org/10.1002/jcc.23983">10.1002/jcc.23983</a>'
  apa: 'Rohrmüller, M., Hoffmann, A., Thierfelder, C., Herres-Pawlis, S., &#38; Schmidt,
    W. G. (2015). The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo
    and peroxo species in density functional calculations†. <i>Journal of Computational
    Chemistry</i>, <i>36</i>(21–22), 1672–1685. <a href="https://doi.org/10.1002/jcc.23983">https://doi.org/10.1002/jcc.23983</a>'
  bibtex: '@article{Rohrmüller_Hoffmann_Thierfelder_Herres-Pawlis_Schmidt_2015, title={The
    Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo species
    in density functional calculations†}, volume={36}, DOI={<a href="https://doi.org/10.1002/jcc.23983">10.1002/jcc.23983</a>},
    number={21–22}, journal={Journal of Computational Chemistry}, author={Rohrmüller,
    Martin and Hoffmann, Alexander and Thierfelder, Christian and Herres-Pawlis, Sonja
    and Schmidt, Wolf Gero}, year={2015}, pages={1672–1685} }'
  chicago: 'Rohrmüller, Martin, Alexander Hoffmann, Christian Thierfelder, Sonja Herres-Pawlis,
    and Wolf Gero Schmidt. “The Cu2O2torture Track for a Real-Life System: [Cu2(Btmgp)2O2]2+oxo
    and Peroxo Species in Density Functional Calculations†.” <i>Journal of Computational
    Chemistry</i> 36, no. 21–22 (2015): 1672–85. <a href="https://doi.org/10.1002/jcc.23983">https://doi.org/10.1002/jcc.23983</a>.'
  ieee: 'M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, and W. G. Schmidt,
    “The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo
    species in density functional calculations†,” <i>Journal of Computational Chemistry</i>,
    vol. 36, no. 21–22, pp. 1672–1685, 2015, doi: <a href="https://doi.org/10.1002/jcc.23983">10.1002/jcc.23983</a>.'
  mla: 'Rohrmüller, Martin, et al. “The Cu2O2torture Track for a Real-Life System:
    [Cu2(Btmgp)2O2]2+oxo and Peroxo Species in Density Functional Calculations†.”
    <i>Journal of Computational Chemistry</i>, vol. 36, no. 21–22, 2015, pp. 1672–85,
    doi:<a href="https://doi.org/10.1002/jcc.23983">10.1002/jcc.23983</a>.'
  short: M. Rohrmüller, A. Hoffmann, C. Thierfelder, S. Herres-Pawlis, W.G. Schmidt,
    Journal of Computational Chemistry 36 (2015) 1672–1685.
date_created: 2019-09-30T12:48:40Z
date_updated: 2025-12-05T10:39:31Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/jcc.23983
funded_apc: '1'
intvolume: '        36'
issue: 21-22
language:
- iso: eng
page: 1672-1685
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: 'The Cu2O2torture track for a real-life system: [Cu2(btmgp)2O2]2+oxo and peroxo
  species in density functional calculations†'
type: journal_article
user_id: '16199'
volume: 36
year: '2015'
...
---
_id: '13497'
author:
- first_name: Amirreza
  full_name: Baghbanpourasl, Amirreza
  last_name: Baghbanpourasl
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Mariella
  full_name: Denk, Mariella
  last_name: Denk
- first_name: Christoph
  full_name: Cobet, Christoph
  last_name: Cobet
- first_name: Michael
  full_name: Hohage, Michael
  last_name: Hohage
- first_name: Peter
  full_name: Zeppenfeld, Peter
  last_name: Zeppenfeld
- first_name: Kurt
  full_name: Hingerl, Kurt
  last_name: Hingerl
citation:
  ama: Baghbanpourasl A, Schmidt WG, Denk M, et al. Water adsorbate influence on the
    Cu(110) surface optical response. <i>Surface Science</i>. 2015;641:231-236. doi:<a
    href="https://doi.org/10.1016/j.susc.2015.07.020">10.1016/j.susc.2015.07.020</a>
  apa: Baghbanpourasl, A., Schmidt, W. G., Denk, M., Cobet, C., Hohage, M., Zeppenfeld,
    P., &#38; Hingerl, K. (2015). Water adsorbate influence on the Cu(110) surface
    optical response. <i>Surface Science</i>, <i>641</i>, 231–236. <a href="https://doi.org/10.1016/j.susc.2015.07.020">https://doi.org/10.1016/j.susc.2015.07.020</a>
  bibtex: '@article{Baghbanpourasl_Schmidt_Denk_Cobet_Hohage_Zeppenfeld_Hingerl_2015,
    title={Water adsorbate influence on the Cu(110) surface optical response}, volume={641},
    DOI={<a href="https://doi.org/10.1016/j.susc.2015.07.020">10.1016/j.susc.2015.07.020</a>},
    journal={Surface Science}, author={Baghbanpourasl, Amirreza and Schmidt, Wolf
    Gero and Denk, Mariella and Cobet, Christoph and Hohage, Michael and Zeppenfeld,
    Peter and Hingerl, Kurt}, year={2015}, pages={231–236} }'
  chicago: 'Baghbanpourasl, Amirreza, Wolf Gero Schmidt, Mariella Denk, Christoph
    Cobet, Michael Hohage, Peter Zeppenfeld, and Kurt Hingerl. “Water Adsorbate Influence
    on the Cu(110) Surface Optical Response.” <i>Surface Science</i> 641 (2015): 231–36.
    <a href="https://doi.org/10.1016/j.susc.2015.07.020">https://doi.org/10.1016/j.susc.2015.07.020</a>.'
  ieee: 'A. Baghbanpourasl <i>et al.</i>, “Water adsorbate influence on the Cu(110)
    surface optical response,” <i>Surface Science</i>, vol. 641, pp. 231–236, 2015,
    doi: <a href="https://doi.org/10.1016/j.susc.2015.07.020">10.1016/j.susc.2015.07.020</a>.'
  mla: Baghbanpourasl, Amirreza, et al. “Water Adsorbate Influence on the Cu(110)
    Surface Optical Response.” <i>Surface Science</i>, vol. 641, 2015, pp. 231–36,
    doi:<a href="https://doi.org/10.1016/j.susc.2015.07.020">10.1016/j.susc.2015.07.020</a>.
  short: A. Baghbanpourasl, W.G. Schmidt, M. Denk, C. Cobet, M. Hohage, P. Zeppenfeld,
    K. Hingerl, Surface Science 641 (2015) 231–236.
date_created: 2019-09-30T12:45:59Z
date_updated: 2025-12-05T10:39:53Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.susc.2015.07.020
intvolume: '       641'
language:
- iso: eng
page: 231-236
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Surface Science
publication_identifier:
  issn:
  - 0039-6028
publication_status: published
status: public
title: Water adsorbate influence on the Cu(110) surface optical response
type: journal_article
user_id: '16199'
volume: 641
year: '2015'
...
---
_id: '22946'
abstract:
- lang: eng
  text: The Kane–Mele model was previously used to describe effective spin–orbit couplings
    (SOCs) in graphene. Here we extend this model and also incorporate curvature effects
    to analyze the combined influence of SOC and curvature on the band structure of
    carbon nanotubes (CNTs). The extended model then reproduces the chirality-dependent
    asymmetric electron-hole splitting for semiconducting CNTs and in the band structure
    for metallic CNTs shows an opening of the band gap and a change of the Fermi wave
    vector with spin. For chiral semiconducting CNTs with large chiral angle we show
    that the spin-splitting configuration of bands near the Fermi energy depends on
    the value of $\text{mod}(2n+m,3)$ .
article_number: '445501'
author:
- first_name: Hong
  full_name: Liu, Hong
  last_name: Liu
- first_name: Dirk Florian
  full_name: Heinze, Dirk Florian
  id: '10904'
  last_name: Heinze
- first_name: Huynh
  full_name: Thanh Duc, Huynh
  last_name: Thanh Duc
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
citation:
  ama: 'Liu H, Heinze DF, Thanh Duc H, Schumacher S, Meier T. Curvature effects in
    the band structure of carbon nanotubes including spin–orbit coupling. <i>Journal
    of Physics: Condensed Matter</i>. 2015;27(44). doi:<a href="https://doi.org/10.1088/0953-8984/27/44/445501">10.1088/0953-8984/27/44/445501</a>'
  apa: 'Liu, H., Heinze, D. F., Thanh Duc, H., Schumacher, S., &#38; Meier, T. (2015).
    Curvature effects in the band structure of carbon nanotubes including spin–orbit
    coupling. <i>Journal of Physics: Condensed Matter</i>, <i>27</i>(44), Article
    445501. <a href="https://doi.org/10.1088/0953-8984/27/44/445501">https://doi.org/10.1088/0953-8984/27/44/445501</a>'
  bibtex: '@article{Liu_Heinze_Thanh Duc_Schumacher_Meier_2015, title={Curvature effects
    in the band structure of carbon nanotubes including spin–orbit coupling}, volume={27},
    DOI={<a href="https://doi.org/10.1088/0953-8984/27/44/445501">10.1088/0953-8984/27/44/445501</a>},
    number={44445501}, journal={Journal of Physics: Condensed Matter}, author={Liu,
    Hong and Heinze, Dirk Florian and Thanh Duc, Huynh and Schumacher, Stefan and
    Meier, Torsten}, year={2015} }'
  chicago: 'Liu, Hong, Dirk Florian Heinze, Huynh Thanh Duc, Stefan Schumacher, and
    Torsten Meier. “Curvature Effects in the Band Structure of Carbon Nanotubes Including
    Spin–Orbit Coupling.” <i>Journal of Physics: Condensed Matter</i> 27, no. 44 (2015).
    <a href="https://doi.org/10.1088/0953-8984/27/44/445501">https://doi.org/10.1088/0953-8984/27/44/445501</a>.'
  ieee: 'H. Liu, D. F. Heinze, H. Thanh Duc, S. Schumacher, and T. Meier, “Curvature
    effects in the band structure of carbon nanotubes including spin–orbit coupling,”
    <i>Journal of Physics: Condensed Matter</i>, vol. 27, no. 44, Art. no. 445501,
    2015, doi: <a href="https://doi.org/10.1088/0953-8984/27/44/445501">10.1088/0953-8984/27/44/445501</a>.'
  mla: 'Liu, Hong, et al. “Curvature Effects in the Band Structure of Carbon Nanotubes
    Including Spin–Orbit Coupling.” <i>Journal of Physics: Condensed Matter</i>, vol.
    27, no. 44, 445501, 2015, doi:<a href="https://doi.org/10.1088/0953-8984/27/44/445501">10.1088/0953-8984/27/44/445501</a>.'
  short: 'H. Liu, D.F. Heinze, H. Thanh Duc, S. Schumacher, T. Meier, Journal of Physics:
    Condensed Matter 27 (2015).'
date_created: 2021-08-06T08:49:10Z
date_updated: 2025-12-05T14:48:46Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '297'
- _id: '230'
- _id: '35'
- _id: '27'
doi: 10.1088/0953-8984/27/44/445501
intvolume: '        27'
issue: '44'
language:
- iso: eng
project:
- _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'
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
  issn:
  - 0953-8984
  - 1361-648X
publication_status: published
status: public
title: Curvature effects in the band structure of carbon nanotubes including spin–orbit
  coupling
type: journal_article
user_id: '16199'
volume: 27
year: '2015'
...