---
_id: '13915'
abstract:
- lang: eng
  text: "The dynamics of a pair of harmonic oscillators represented by three-dimensional
    fields coupled with a repulsive cubic nonlinearity is investigated through direct
    simulations of the respective field equations and with the help of the finite-mode
    Galerkin approximation (GA), which represents the two interacting fields by a
    superposition of \r\n3+3 harmonic-oscillator p-wave eigenfunctions with orbital
    and magnetic quantum numbers l=1 and m=1, 0, −1. The system can be implemented
    in binary Bose-Einstein condensates, demonstrating the potential of the atomic
    condensates to emulate various complex modes predicted by classical field theories.
    First, the GA very accurately predicts a broadly degenerate set of the system's
    ground states in the p-wave manifold, in the form of complexes built of a dipole
    coaxial with another dipole or vortex, as well as complexes built of mutually
    orthogonal dipoles. Next, pairs of noncoaxial vortices and/or dipoles, including
    pairs of mutually perpendicular vortices, develop remarkably stable dynamical
    regimes, which feature periodic exchange of the angular momentum and periodic
    switching between dipoles and vortices. For a moderately strong nonlinearity,
    simulations of the coupled-field equations agree very well with results produced
    by the GA, demonstrating that the dynamics is accurately spanned by the set of
    six modes limited to l=1."
author:
- first_name: R.
  full_name: Driben, R.
  last_name: Driben
- first_name: V. V.
  full_name: Konotop, V. V.
  last_name: Konotop
- first_name: B. A.
  full_name: Malomed, B. A.
  last_name: Malomed
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
citation:
  ama: Driben R, Konotop VV, Malomed BA, Meier T. Dynamics of dipoles and vortices
    in nonlinearly coupled three-dimensional field oscillators. <i>Physical Review
    E</i>. 2016;94(1). doi:<a href="https://doi.org/10.1103/physreve.94.012207">10.1103/physreve.94.012207</a>
  apa: Driben, R., Konotop, V. V., Malomed, B. A., &#38; Meier, T. (2016). Dynamics
    of dipoles and vortices in nonlinearly coupled three-dimensional field oscillators.
    <i>Physical Review E</i>, <i>94</i>(1). <a href="https://doi.org/10.1103/physreve.94.012207">https://doi.org/10.1103/physreve.94.012207</a>
  bibtex: '@article{Driben_Konotop_Malomed_Meier_2016, title={Dynamics of dipoles
    and vortices in nonlinearly coupled three-dimensional field oscillators}, volume={94},
    DOI={<a href="https://doi.org/10.1103/physreve.94.012207">10.1103/physreve.94.012207</a>},
    number={1}, journal={Physical Review E}, author={Driben, R. and Konotop, V. V.
    and Malomed, B. A. and Meier, Torsten}, year={2016} }'
  chicago: Driben, R., V. V. Konotop, B. A. Malomed, and Torsten Meier. “Dynamics
    of Dipoles and Vortices in Nonlinearly Coupled Three-Dimensional Field Oscillators.”
    <i>Physical Review E</i> 94, no. 1 (2016). <a href="https://doi.org/10.1103/physreve.94.012207">https://doi.org/10.1103/physreve.94.012207</a>.
  ieee: 'R. Driben, V. V. Konotop, B. A. Malomed, and T. Meier, “Dynamics of dipoles
    and vortices in nonlinearly coupled three-dimensional field oscillators,” <i>Physical
    Review E</i>, vol. 94, no. 1, 2016, doi: <a href="https://doi.org/10.1103/physreve.94.012207">10.1103/physreve.94.012207</a>.'
  mla: Driben, R., et al. “Dynamics of Dipoles and Vortices in Nonlinearly Coupled
    Three-Dimensional Field Oscillators.” <i>Physical Review E</i>, vol. 94, no. 1,
    2016, doi:<a href="https://doi.org/10.1103/physreve.94.012207">10.1103/physreve.94.012207</a>.
  short: R. Driben, V.V. Konotop, B.A. Malomed, T. Meier, Physical Review E 94 (2016).
date_created: 2019-10-18T08:29:20Z
date_updated: 2023-04-16T21:19:43Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1103/physreve.94.012207
funded_apc: '1'
intvolume: '        94'
issue: '1'
language:
- iso: eng
publication: Physical Review E
publication_identifier:
  issn:
  - 2470-0045
  - 2470-0053
publication_status: published
status: public
title: Dynamics of dipoles and vortices in nonlinearly coupled three-dimensional field
  oscillators
type: journal_article
user_id: '49063'
volume: 94
year: '2016'
...
---
_id: '13918'
article_number: 97460W
author:
- first_name: Reinold
  full_name: Podzimski, Reinold
  last_name: Podzimski
- first_name: Huynh Thanh
  full_name: Duc, Huynh Thanh
  last_name: Duc
- first_name: Shekhar
  full_name: Priyadarshi, Shekhar
  last_name: Priyadarshi
- first_name: Christian
  full_name: Schmidt, Christian
  last_name: Schmidt
- first_name: Mark
  full_name: Bieler, Mark
  last_name: Bieler
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
citation:
  ama: 'Podzimski R, Duc HT, Priyadarshi S, Schmidt C, Bieler M, Meier T. Photocurrents
    in semiconductors and semiconductor quantum wells analyzed by k.p-based Bloch
    equations. In: Betz M, Elezzabi AY, eds. <i>Ultrafast Phenomena and Nanophotonics
    XX</i>. Vol 9746. SPIE Proceedings. SPIE; 2016. doi:<a href="https://doi.org/10.1117/12.2208572">10.1117/12.2208572</a>'
  apa: Podzimski, R., Duc, H. T., Priyadarshi, S., Schmidt, C., Bieler, M., &#38;
    Meier, T. (2016). Photocurrents in semiconductors and semiconductor quantum wells
    analyzed by k.p-based Bloch equations. In M. Betz &#38; A. Y. Elezzabi (Eds.),
    <i>Ultrafast Phenomena and Nanophotonics XX</i> (No. 97460W; Vol. 9746). SPIE.
    <a href="https://doi.org/10.1117/12.2208572">https://doi.org/10.1117/12.2208572</a>
  bibtex: '@inproceedings{Podzimski_Duc_Priyadarshi_Schmidt_Bieler_Meier_2016, series={SPIE
    Proceedings}, title={Photocurrents in semiconductors and semiconductor quantum
    wells analyzed by k.p-based Bloch equations}, volume={9746}, DOI={<a href="https://doi.org/10.1117/12.2208572">10.1117/12.2208572</a>},
    number={97460W}, booktitle={Ultrafast Phenomena and Nanophotonics XX}, publisher={SPIE},
    author={Podzimski, Reinold and Duc, Huynh Thanh and Priyadarshi, Shekhar and Schmidt,
    Christian and Bieler, Mark and Meier, Torsten}, editor={Betz, Markus and Elezzabi,
    Abdulhakem Y.}, year={2016}, collection={SPIE Proceedings} }'
  chicago: Podzimski, Reinold, Huynh Thanh Duc, Shekhar Priyadarshi, Christian Schmidt,
    Mark Bieler, and Torsten Meier. “Photocurrents in Semiconductors and Semiconductor
    Quantum Wells Analyzed by k.p-Based Bloch Equations.” In <i>Ultrafast Phenomena
    and Nanophotonics XX</i>, edited by Markus Betz and Abdulhakem Y. Elezzabi, Vol.
    9746. SPIE Proceedings. SPIE, 2016. <a href="https://doi.org/10.1117/12.2208572">https://doi.org/10.1117/12.2208572</a>.
  ieee: 'R. Podzimski, H. T. Duc, S. Priyadarshi, C. Schmidt, M. Bieler, and T. Meier,
    “Photocurrents in semiconductors and semiconductor quantum wells analyzed by k.p-based
    Bloch equations,” in <i>Ultrafast Phenomena and Nanophotonics XX</i>, 2016, vol.
    9746, doi: <a href="https://doi.org/10.1117/12.2208572">10.1117/12.2208572</a>.'
  mla: Podzimski, Reinold, et al. “Photocurrents in Semiconductors and Semiconductor
    Quantum Wells Analyzed by k.p-Based Bloch Equations.” <i>Ultrafast Phenomena and
    Nanophotonics XX</i>, edited by Markus Betz and Abdulhakem Y. Elezzabi, vol. 9746,
    97460W, SPIE, 2016, doi:<a href="https://doi.org/10.1117/12.2208572">10.1117/12.2208572</a>.
  short: 'R. Podzimski, H.T. Duc, S. Priyadarshi, C. Schmidt, M. Bieler, T. Meier,
    in: M. Betz, A.Y. Elezzabi (Eds.), Ultrafast Phenomena and Nanophotonics XX, SPIE,
    2016.'
date_created: 2019-10-18T08:33:43Z
date_updated: 2023-04-16T21:21:21Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1117/12.2208572
editor:
- first_name: Markus
  full_name: Betz, Markus
  last_name: Betz
- first_name: Abdulhakem Y.
  full_name: Elezzabi, Abdulhakem Y.
  last_name: Elezzabi
intvolume: '      9746'
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: Ultrafast Phenomena and Nanophotonics XX
publication_status: published
publisher: SPIE
series_title: SPIE Proceedings
status: public
title: Photocurrents in semiconductors and semiconductor quantum wells analyzed by
  k.p-based Bloch equations
type: conference
user_id: '49063'
volume: 9746
year: '2016'
...
---
_id: '22942'
abstract:
- lang: eng
  text: "A microscopic approach that is based on the multisubband semiconductor Bloch
    equations formulated in the basis of a 14-band k⋅p model is employed to compute
    the temporal dynamics of photocurrents in GaAs quantum wells following excitation
    with femtosecond laser pulses. This approach provides a transparent description
    of the interband, intersubband, and intraband excitations, fully includes all
    resonant as well as off-resonant excitations, and treats the light-matter interaction
    nonperturbatively. For linearly polarized excitations, the photocurrents contain
    contributions from shift and rectification currents. We numerically compute and
    analyze these currents generated by excitation with femtosecond laser pulses for
    [110]- and [111]-oriented GaAs quantum wells. It is shown that the often employed
    perturbative \r\nχ(2) approach breaks down for peak fields larger than about 10
    kV/cm, and that nonperturbative effects lead to a reduction of the peak values
    of the shift and rectification currents and to temporal oscillations that originate
    from Rabi flopping. In particular, we find a complex oscillatory photon energy
    dependence of the magnitudes of the shift and rectification currents. Our simulations
    demonstrate that this dependence is the result of mixing between the heavy- and
    light-hole valence bands. This is a surprising finding since the band mixing has
    an even larger influence on the strength of the photocurrents than the absorption
    coefficient. For [110]-oriented GaAs quantum wells, the calculated photon energy
    dependence is compared to experimental results, and good agreement is obtained.
    This validates our theoretical approach."
article_number: '085305'
author:
- first_name: Huynh Thanh
  full_name: Duc, Huynh Thanh
  last_name: Duc
- first_name: Reinold
  full_name: Podzimski, Reinold
  last_name: Podzimski
- first_name: Shekhar
  full_name: Priyadarshi, Shekhar
  last_name: Priyadarshi
- first_name: Mark
  full_name: Bieler, Mark
  last_name: Bieler
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
citation:
  ama: 'Duc HT, Podzimski R, Priyadarshi S, Bieler M, Meier T. Ultrafast shift and
    rectification photocurrents in GaAs quantum wells: Excitation intensity dependence
    and the importance of band mixing. <i>Physical Review B</i>. 2016;94(8). doi:<a
    href="https://doi.org/10.1103/physrevb.94.085305">10.1103/physrevb.94.085305</a>'
  apa: 'Duc, H. T., Podzimski, R., Priyadarshi, S., Bieler, M., &#38; Meier, T. (2016).
    Ultrafast shift and rectification photocurrents in GaAs quantum wells: Excitation
    intensity dependence and the importance of band mixing. <i>Physical Review B</i>,
    <i>94</i>(8), Article 085305. <a href="https://doi.org/10.1103/physrevb.94.085305">https://doi.org/10.1103/physrevb.94.085305</a>'
  bibtex: '@article{Duc_Podzimski_Priyadarshi_Bieler_Meier_2016, title={Ultrafast
    shift and rectification photocurrents in GaAs quantum wells: Excitation intensity
    dependence and the importance of band mixing}, volume={94}, DOI={<a href="https://doi.org/10.1103/physrevb.94.085305">10.1103/physrevb.94.085305</a>},
    number={8085305}, journal={Physical Review B}, publisher={American Physical Society},
    author={Duc, Huynh Thanh and Podzimski, Reinold and Priyadarshi, Shekhar and Bieler,
    Mark and Meier, Torsten}, year={2016} }'
  chicago: 'Duc, Huynh Thanh, Reinold Podzimski, Shekhar Priyadarshi, Mark Bieler,
    and Torsten Meier. “Ultrafast Shift and Rectification Photocurrents in GaAs Quantum
    Wells: Excitation Intensity Dependence and the Importance of Band Mixing.” <i>Physical
    Review B</i> 94, no. 8 (2016). <a href="https://doi.org/10.1103/physrevb.94.085305">https://doi.org/10.1103/physrevb.94.085305</a>.'
  ieee: 'H. T. Duc, R. Podzimski, S. Priyadarshi, M. Bieler, and T. Meier, “Ultrafast
    shift and rectification photocurrents in GaAs quantum wells: Excitation intensity
    dependence and the importance of band mixing,” <i>Physical Review B</i>, vol.
    94, no. 8, Art. no. 085305, 2016, doi: <a href="https://doi.org/10.1103/physrevb.94.085305">10.1103/physrevb.94.085305</a>.'
  mla: 'Duc, Huynh Thanh, et al. “Ultrafast Shift and Rectification Photocurrents
    in GaAs Quantum Wells: Excitation Intensity Dependence and the Importance of Band
    Mixing.” <i>Physical Review B</i>, vol. 94, no. 8, 085305, American Physical Society,
    2016, doi:<a href="https://doi.org/10.1103/physrevb.94.085305">10.1103/physrevb.94.085305</a>.'
  short: H.T. Duc, R. Podzimski, S. Priyadarshi, M. Bieler, T. Meier, Physical Review
    B 94 (2016).
date_created: 2021-08-06T08:41:28Z
date_updated: 2023-04-16T21:18:16Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1103/physrevb.94.085305
intvolume: '        94'
issue: '8'
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: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
publisher: American Physical Society
status: public
title: 'Ultrafast shift and rectification photocurrents in GaAs quantum wells: Excitation
  intensity dependence and the importance of band mixing'
type: journal_article
user_id: '49063'
volume: 94
year: '2016'
...
---
_id: '13916'
abstract:
- lang: eng
  text: Nonlinearity is the driving force for numerous important effects in nature
    typically showing transitions between different regimes, regular, chaotic or catastrophic
    behavior. Localized nonlinear modes have been the focus of intense research in
    areas such as fluid and gas dynamics, photonics, atomic and solid state physics
    etc. Due to the richness of the behavior of nonlinear systems and due to the severe
    numerical demands of accurate three-dimensional (3D) numerical simulations presently
    only little knowledge is available on the dynamics of complex nonlinear modes
    in 3D. Here, we investigate the dynamics of 3D non-coaxial matter wave vortices
    that are trapped in a parabolic potential and interact via a repulsive nonlinearity.
    Our numerical simulations demonstrate the existence of an unexpected and fascinating
    nonlinear regime that starts immediately when the nonlinearity is switched-on
    and is characterized by a smooth dynamics representing torque-free precession
    with nutations. The reported motion is proven to be robust regarding various effects
    such as the number of particles, dissipation and trap deformations and thus should
    be observable in suitably designed experiments. Since our theoretical approach,
    i.e., coupled nonlinear Schrödinger equations, is quite generic, we expect that
    the obtained novel dynamical behavior should also exist in other nonlinear systems.
article_number: '22758'
author:
- first_name: R.
  full_name: Driben, R.
  last_name: Driben
- first_name: V. V.
  full_name: Konotop, V. V.
  last_name: Konotop
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
citation:
  ama: Driben R, Konotop VV, Meier T. Precession and nutation dynamics of nonlinearly
    coupled non-coaxial three-dimensional matter wave vortices. <i>Scientific Reports</i>.
    2016;6. doi:<a href="https://doi.org/10.1038/srep22758">10.1038/srep22758</a>
  apa: Driben, R., Konotop, V. V., &#38; Meier, T. (2016). Precession and nutation
    dynamics of nonlinearly coupled non-coaxial three-dimensional matter wave vortices.
    <i>Scientific Reports</i>, <i>6</i>, Article 22758. <a href="https://doi.org/10.1038/srep22758">https://doi.org/10.1038/srep22758</a>
  bibtex: '@article{Driben_Konotop_Meier_2016, title={Precession and nutation dynamics
    of nonlinearly coupled non-coaxial three-dimensional matter wave vortices}, volume={6},
    DOI={<a href="https://doi.org/10.1038/srep22758">10.1038/srep22758</a>}, number={22758},
    journal={Scientific Reports}, author={Driben, R. and Konotop, V. V. and Meier,
    Torsten}, year={2016} }'
  chicago: Driben, R., V. V. Konotop, and Torsten Meier. “Precession and Nutation
    Dynamics of Nonlinearly Coupled Non-Coaxial Three-Dimensional Matter Wave Vortices.”
    <i>Scientific Reports</i> 6 (2016). <a href="https://doi.org/10.1038/srep22758">https://doi.org/10.1038/srep22758</a>.
  ieee: 'R. Driben, V. V. Konotop, and T. Meier, “Precession and nutation dynamics
    of nonlinearly coupled non-coaxial three-dimensional matter wave vortices,” <i>Scientific
    Reports</i>, vol. 6, Art. no. 22758, 2016, doi: <a href="https://doi.org/10.1038/srep22758">10.1038/srep22758</a>.'
  mla: Driben, R., et al. “Precession and Nutation Dynamics of Nonlinearly Coupled
    Non-Coaxial Three-Dimensional Matter Wave Vortices.” <i>Scientific Reports</i>,
    vol. 6, 22758, 2016, doi:<a href="https://doi.org/10.1038/srep22758">10.1038/srep22758</a>.
  short: R. Driben, V.V. Konotop, T. Meier, Scientific Reports 6 (2016).
date_created: 2019-10-18T08:30:23Z
date_updated: 2023-04-16T21:22:52Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1038/srep22758
funded_apc: '1'
intvolume: '         6'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://www.nature.com/articles/srep22758
oa: '1'
publication: Scientific Reports
publication_identifier:
  issn:
  - 2045-2322
publication_status: published
status: public
title: Precession and nutation dynamics of nonlinearly coupled non-coaxial three-dimensional
  matter wave vortices
type: journal_article
user_id: '49063'
volume: 6
year: '2016'
...
---
_id: '13920'
abstract:
- lang: eng
  text: We investigate the transient optical response in high-quality Cd0.88Zn0.12Te
    crystals in the regime of slow light propagation on the lower exciton-polariton
    branch. Femtosecond photoexcitation leads to very substantial transmission changes
    in a ∼10-meV broad spectral range within the transparency window of the unexcited
    semiconductor. These nonlinear optical signatures decay on picosecond time scales
    governed by carrier thermalization and recombination. The temporal and spectral
    dependence indicate the dynamical optical response as arising from excitation-induced
    dephasing and perturbed free induction decay. Model simulations for the optical
    response taking into account the actual exciton-polariton dispersion and excitation-induced
    dephasing of a nonlinearly driven two-level system support this interpretation.
author:
- first_name: J.
  full_name: Lohrenz, J.
  last_name: Lohrenz
- first_name: S.
  full_name: Melzer, S.
  last_name: Melzer
- first_name: C.
  full_name: Ruppert, C.
  last_name: Ruppert
- first_name: I. A.
  full_name: Akimov, I. A.
  last_name: Akimov
- first_name: H.
  full_name: Mariette, H.
  last_name: Mariette
- first_name: Matthias
  full_name: Reichelt, Matthias
  id: '138'
  last_name: Reichelt
- first_name: Alexander
  full_name: Trautmann, Alexander
  id: '38163'
  last_name: Trautmann
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
- first_name: M.
  full_name: Betz, M.
  last_name: Betz
citation:
  ama: Lohrenz J, Melzer S, Ruppert C, et al. Ultrafast dynamical response of the
    lower exciton-polariton branch in CdZnTe. <i>Physical Review B</i>. 2016;93(7).
    doi:<a href="https://doi.org/10.1103/physrevb.93.075201">10.1103/physrevb.93.075201</a>
  apa: Lohrenz, J., Melzer, S., Ruppert, C., Akimov, I. A., Mariette, H., Reichelt,
    M., Trautmann, A., Meier, T., &#38; Betz, M. (2016). Ultrafast dynamical response
    of the lower exciton-polariton branch in CdZnTe. <i>Physical Review B</i>, <i>93</i>(7).
    <a href="https://doi.org/10.1103/physrevb.93.075201">https://doi.org/10.1103/physrevb.93.075201</a>
  bibtex: '@article{Lohrenz_Melzer_Ruppert_Akimov_Mariette_Reichelt_Trautmann_Meier_Betz_2016,
    title={Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe},
    volume={93}, DOI={<a href="https://doi.org/10.1103/physrevb.93.075201">10.1103/physrevb.93.075201</a>},
    number={7}, journal={Physical Review B}, author={Lohrenz, J. and Melzer, S. and
    Ruppert, C. and Akimov, I. A. and Mariette, H. and Reichelt, Matthias and Trautmann,
    Alexander and Meier, Torsten and Betz, M.}, year={2016} }'
  chicago: Lohrenz, J., S. Melzer, C. Ruppert, I. A. Akimov, H. Mariette, Matthias
    Reichelt, Alexander Trautmann, Torsten Meier, and M. Betz. “Ultrafast Dynamical
    Response of the Lower Exciton-Polariton Branch in CdZnTe.” <i>Physical Review
    B</i> 93, no. 7 (2016). <a href="https://doi.org/10.1103/physrevb.93.075201">https://doi.org/10.1103/physrevb.93.075201</a>.
  ieee: 'J. Lohrenz <i>et al.</i>, “Ultrafast dynamical response of the lower exciton-polariton
    branch in CdZnTe,” <i>Physical Review B</i>, vol. 93, no. 7, 2016, doi: <a href="https://doi.org/10.1103/physrevb.93.075201">10.1103/physrevb.93.075201</a>.'
  mla: Lohrenz, J., et al. “Ultrafast Dynamical Response of the Lower Exciton-Polariton
    Branch in CdZnTe.” <i>Physical Review B</i>, vol. 93, no. 7, 2016, doi:<a href="https://doi.org/10.1103/physrevb.93.075201">10.1103/physrevb.93.075201</a>.
  short: J. Lohrenz, S. Melzer, C. Ruppert, I.A. Akimov, H. Mariette, M. Reichelt,
    A. Trautmann, T. Meier, M. Betz, Physical Review B 93 (2016).
date_created: 2019-10-18T08:38:50Z
date_updated: 2023-04-16T21:23:54Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
- _id: '429'
doi: 10.1103/physrevb.93.075201
funded_apc: '1'
intvolume: '        93'
issue: '7'
language:
- iso: eng
project:
- _id: '53'
  name: TRR 142
- _id: '54'
  name: TRR 142 - Project Area A
- _id: '59'
  name: TRR 142 - Subproject A2
- _id: '64'
  name: TRR 142 - Subproject A7
- _id: '56'
  name: TRR 142 - Project Area C
- _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'
publication: Physical Review B
publication_identifier:
  issn:
  - 2469-9950
  - 2469-9969
publication_status: published
status: public
title: Ultrafast dynamical response of the lower exciton-polariton branch in CdZnTe
type: journal_article
user_id: '49063'
volume: 93
year: '2016'
...
---
_id: '1454'
author:
- first_name: Yevgen
  full_name: Grynko, Yevgen
  id: '26059'
  last_name: Grynko
- first_name: Thomas
  full_name: Zentgraf, Thomas
  id: '30525'
  last_name: Zentgraf
  orcid: 0000-0002-8662-1101
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
citation:
  ama: Grynko Y, Zentgraf T, Meier T, Förstner J. Simulations of high harmonic generation
    from plasmonic nanoparticles in the terahertz region. <i>Applied Physics B</i>.
    2016;122(9):242. doi:<a href="https://doi.org/10.1007/s00340-016-6510-0">10.1007/s00340-016-6510-0</a>
  apa: Grynko, Y., Zentgraf, T., Meier, T., &#38; Förstner, J. (2016). Simulations
    of high harmonic generation from plasmonic nanoparticles in the terahertz region.
    <i>Applied Physics B</i>, <i>122</i>(9), 242. <a href="https://doi.org/10.1007/s00340-016-6510-0">https://doi.org/10.1007/s00340-016-6510-0</a>
  bibtex: '@article{Grynko_Zentgraf_Meier_Förstner_2016, title={Simulations of high
    harmonic generation from plasmonic nanoparticles in the terahertz region}, volume={122},
    DOI={<a href="https://doi.org/10.1007/s00340-016-6510-0">10.1007/s00340-016-6510-0</a>},
    number={9}, journal={Applied Physics B}, publisher={Springer Nature}, author={Grynko,
    Yevgen and Zentgraf, Thomas and Meier, Torsten and Förstner, Jens}, year={2016},
    pages={242} }'
  chicago: 'Grynko, Yevgen, Thomas Zentgraf, Torsten Meier, and Jens Förstner. “Simulations
    of High Harmonic Generation from Plasmonic Nanoparticles in the Terahertz Region.”
    <i>Applied Physics B</i> 122, no. 9 (2016): 242. <a href="https://doi.org/10.1007/s00340-016-6510-0">https://doi.org/10.1007/s00340-016-6510-0</a>.'
  ieee: 'Y. Grynko, T. Zentgraf, T. Meier, and J. Förstner, “Simulations of high harmonic
    generation from plasmonic nanoparticles in the terahertz region,” <i>Applied Physics
    B</i>, vol. 122, no. 9, p. 242, 2016, doi: <a href="https://doi.org/10.1007/s00340-016-6510-0">10.1007/s00340-016-6510-0</a>.'
  mla: Grynko, Yevgen, et al. “Simulations of High Harmonic Generation from Plasmonic
    Nanoparticles in the Terahertz Region.” <i>Applied Physics B</i>, vol. 122, no.
    9, Springer Nature, 2016, p. 242, doi:<a href="https://doi.org/10.1007/s00340-016-6510-0">10.1007/s00340-016-6510-0</a>.
  short: Y. Grynko, T. Zentgraf, T. Meier, J. Förstner, Applied Physics B 122 (2016)
    242.
date_created: 2018-03-20T18:13:38Z
date_updated: 2025-01-08T09:17:48Z
ddc:
- '530'
department:
- _id: '15'
- _id: '230'
- _id: '61'
- _id: '289'
- _id: '293'
- _id: '170'
doi: 10.1007/s00340-016-6510-0
file:
- access_level: closed
  content_type: application/pdf
  creator: fossie
  date_created: 2018-09-04T19:48:55Z
  date_updated: 2018-09-04T19:48:55Z
  file_id: '4355'
  file_name: 2016-08 Grynko THz HHG - Applied Physics B.pdf
  file_size: 812759
  relation: main_file
  success: 1
file_date_updated: 2018-09-04T19:48:55Z
has_accepted_license: '1'
intvolume: '       122'
issue: '9'
keyword:
- tet_topic_meta
- tet_topic_shg
language:
- iso: eng
page: '242'
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: Applied Physics B
publication_identifier:
  issn:
  - 0946-2171
  - 1432-0649
publication_status: published
publisher: Springer Nature
status: public
title: Simulations of high harmonic generation from plasmonic nanoparticles in the
  terahertz region
type: journal_article
user_id: '30525'
volume: 122
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'
...
