---
_id: '3961'
abstract:
- lang: eng
  text: Previous experimental measurements and numerical simulations give evidence
    of strong electric and magnetic field interaction between split-ring resonators
    in dense arrays. One can expect that such interactions have an influence on the
    second harmonic generation. We apply the Discontinuous Galerkin Time Domain method
    and the hydrodynamic Maxwell-Vlasov model to simulate the linear and nonlinear
    optical response from SRR arrays. The simulations show that dense placement of
    the constituent building blocks appears not always optimal and collective effects
    can lead to a significant suppression of the near fields at the fundamental frequency
    and, consequently, to the decrease of the SHG intensity. We demonstrate also the
    great role of the symmetry degree of the array layout which results in the variation
    of the SHG efficiency in range of two orders of magnitude.
author:
- first_name: Yevgen
  full_name: Grynko, Yevgen
  id: '26059'
  last_name: Grynko
- first_name: Torsten
  full_name: Meier, Torsten
  id: '344'
  last_name: Meier
  orcid: 0000-0001-8864-2072
- first_name: Stefan
  full_name: Linden, Stefan
  last_name: Linden
- first_name: Fabian B. P.
  full_name: Niesler, Fabian B. P.
  last_name: Niesler
- first_name: Martin
  full_name: Wegener, Martin
  last_name: Wegener
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
citation:
  ama: 'Grynko Y, Meier T, Linden S, Niesler FBP, Wegener M, Förstner J. Optimal second-harmonic
    generation in split-ring resonator arrays. In: Betz M, Elezzabi AY, Song J-J,
    Tsen K-T, eds. <i>Ultrafast Phenomena and Nanophotonics XVII</i>. Vol 8623. SPIE
    Proceedings. SPIE; 2013:86230L-86230L - 9. doi:<a href="https://doi.org/10.1117/12.2003279">10.1117/12.2003279</a>'
  apa: Grynko, Y., Meier, T., Linden, S., Niesler, F. B. P., Wegener, M., &#38; Förstner,
    J. (2013). Optimal second-harmonic generation in split-ring resonator arrays.
    In M. Betz, A. Y. Elezzabi, J.-J. Song, &#38; K.-T. Tsen (Eds.), <i>Ultrafast
    Phenomena and Nanophotonics XVII</i> (Vol. 8623, pp. 86230L-86230L – 9). SPIE.
    <a href="https://doi.org/10.1117/12.2003279">https://doi.org/10.1117/12.2003279</a>
  bibtex: '@inproceedings{Grynko_Meier_Linden_Niesler_Wegener_Förstner_2013, series={SPIE
    Proceedings}, title={Optimal second-harmonic generation in split-ring resonator
    arrays}, volume={8623}, DOI={<a href="https://doi.org/10.1117/12.2003279">10.1117/12.2003279</a>},
    booktitle={Ultrafast Phenomena and Nanophotonics XVII}, publisher={SPIE}, author={Grynko,
    Yevgen and Meier, Torsten and Linden, Stefan and Niesler, Fabian B. P. and Wegener,
    Martin and Förstner, Jens}, editor={Betz, Markus and Elezzabi, Abdulhakem Y. and
    Song, Jin-Joo and Tsen, Kong-Thon}, year={2013}, pages={86230L-86230L–9}, collection={SPIE
    Proceedings} }'
  chicago: Grynko, Yevgen, Torsten Meier, Stefan Linden, Fabian B. P. Niesler, Martin
    Wegener, and Jens Förstner. “Optimal Second-Harmonic Generation in Split-Ring
    Resonator Arrays.” In <i>Ultrafast Phenomena and Nanophotonics XVII</i>, edited
    by Markus Betz, Abdulhakem Y. Elezzabi, Jin-Joo Song, and Kong-Thon Tsen, 8623:86230L-86230L
    – 9. SPIE Proceedings. SPIE, 2013. <a href="https://doi.org/10.1117/12.2003279">https://doi.org/10.1117/12.2003279</a>.
  ieee: 'Y. Grynko, T. Meier, S. Linden, F. B. P. Niesler, M. Wegener, and J. Förstner,
    “Optimal second-harmonic generation in split-ring resonator arrays,” in <i>Ultrafast
    Phenomena and Nanophotonics XVII</i>, 2013, vol. 8623, pp. 86230L-86230L–9, doi:
    <a href="https://doi.org/10.1117/12.2003279">10.1117/12.2003279</a>.'
  mla: Grynko, Yevgen, et al. “Optimal Second-Harmonic Generation in Split-Ring Resonator
    Arrays.” <i>Ultrafast Phenomena and Nanophotonics XVII</i>, edited by Markus Betz
    et al., vol. 8623, SPIE, 2013, pp. 86230L-86230L – 9, doi:<a href="https://doi.org/10.1117/12.2003279">10.1117/12.2003279</a>.
  short: 'Y. Grynko, T. Meier, S. Linden, F.B.P. Niesler, M. Wegener, J. Förstner,
    in: M. Betz, A.Y. Elezzabi, J.-J. Song, K.-T. Tsen (Eds.), Ultrafast Phenomena
    and Nanophotonics XVII, SPIE, 2013, pp. 86230L-86230L–9.'
date_created: 2018-08-21T07:38:08Z
date_updated: 2023-04-16T22:25:51Z
ddc:
- '530'
department:
- _id: '15'
- _id: '293'
- _id: '170'
- _id: '61'
- _id: '230'
doi: 10.1117/12.2003279
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: Jin-Joo
  full_name: Song, Jin-Joo
  last_name: Song
- first_name: Kong-Thon
  full_name: Tsen, Kong-Thon
  last_name: Tsen
file:
- access_level: closed
  content_type: application/pdf
  creator: hclaudia
  date_created: 2018-08-21T07:41:47Z
  date_updated: 2018-08-21T07:41:47Z
  file_id: '3962'
  file_name: 2013-01 Grynko,Meier,Linden,Niesler,Wegener,Förstner_Optimal Second-Harmonic
    Generation in Split-Ring Resonator Arrays.pdf
  file_size: 1360450
  relation: main_file
  success: 1
file_date_updated: 2018-08-21T07:41:47Z
has_accepted_license: '1'
intvolume: '      8623'
keyword:
- tet_topic_shg
- tet_topic_meta
language:
- iso: eng
page: 86230L-86230L-9
publication: Ultrafast Phenomena and Nanophotonics XVII
publication_status: published
publisher: SPIE
series_title: SPIE Proceedings
status: public
title: Optimal second-harmonic generation in split-ring resonator arrays
type: conference
user_id: '49063'
volume: 8623
year: '2013'
...
---
_id: '13521'
author:
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: S.
  full_name: Rode, S.
  last_name: Rode
- first_name: R.
  full_name: Hölscher, R.
  last_name: Hölscher
- first_name: S.
  full_name: Klassen, S.
  last_name: Klassen
- first_name: C.
  full_name: Marutschke, C.
  last_name: Marutschke
- first_name: K.
  full_name: Kobayashi, K.
  last_name: Kobayashi
- first_name: H.
  full_name: Yamada, H.
  last_name: Yamada
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: A.
  full_name: Kühnle, A.
  last_name: Kühnle
citation:
  ama: Sanna S, Rode S, Hölscher R, et al. Charge compensation by long-period reconstruction
    in strongly polar lithium niobate surfaces. <i>Physical Review B</i>. 2013;88.
    doi:<a href="https://doi.org/10.1103/physrevb.88.115422">10.1103/physrevb.88.115422</a>
  apa: Sanna, S., Rode, S., Hölscher, R., Klassen, S., Marutschke, C., Kobayashi,
    K., Yamada, H., Schmidt, W. G., &#38; Kühnle, A. (2013). Charge compensation by
    long-period reconstruction in strongly polar lithium niobate surfaces. <i>Physical
    Review B</i>, <i>88</i>. <a href="https://doi.org/10.1103/physrevb.88.115422">https://doi.org/10.1103/physrevb.88.115422</a>
  bibtex: '@article{Sanna_Rode_Hölscher_Klassen_Marutschke_Kobayashi_Yamada_Schmidt_Kühnle_2013,
    title={Charge compensation by long-period reconstruction in strongly polar lithium
    niobate surfaces}, volume={88}, DOI={<a href="https://doi.org/10.1103/physrevb.88.115422">10.1103/physrevb.88.115422</a>},
    journal={Physical Review B}, author={Sanna, S. and Rode, S. and Hölscher, R. and
    Klassen, S. and Marutschke, C. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf
    Gero and Kühnle, A.}, year={2013} }'
  chicago: Sanna, S., S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi,
    H. Yamada, Wolf Gero Schmidt, and A. Kühnle. “Charge Compensation by Long-Period
    Reconstruction in Strongly Polar Lithium Niobate Surfaces.” <i>Physical Review
    B</i> 88 (2013). <a href="https://doi.org/10.1103/physrevb.88.115422">https://doi.org/10.1103/physrevb.88.115422</a>.
  ieee: 'S. Sanna <i>et al.</i>, “Charge compensation by long-period reconstruction
    in strongly polar lithium niobate surfaces,” <i>Physical Review B</i>, vol. 88,
    2013, doi: <a href="https://doi.org/10.1103/physrevb.88.115422">10.1103/physrevb.88.115422</a>.'
  mla: Sanna, S., et al. “Charge Compensation by Long-Period Reconstruction in Strongly
    Polar Lithium Niobate Surfaces.” <i>Physical Review B</i>, vol. 88, 2013, doi:<a
    href="https://doi.org/10.1103/physrevb.88.115422">10.1103/physrevb.88.115422</a>.
  short: S. Sanna, S. Rode, R. Hölscher, S. Klassen, C. Marutschke, K. Kobayashi,
    H. Yamada, W.G. Schmidt, A. Kühnle, Physical Review B 88 (2013).
date_created: 2019-09-30T13:54:23Z
date_updated: 2025-12-05T10:30:36Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.88.115422
intvolume: '        88'
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: Charge compensation by long-period reconstruction in strongly polar lithium
  niobate surfaces
type: journal_article
user_id: '16199'
volume: 88
year: '2013'
...
---
_id: '13523'
author:
- first_name: Roberto C.
  full_name: Longo, Roberto C.
  last_name: Longo
- first_name: Kyeongjae
  full_name: Cho, Kyeongjae
  last_name: Cho
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Yves J.
  full_name: Chabal, Yves J.
  last_name: Chabal
- first_name: Peter
  full_name: Thissen, Peter
  last_name: Thissen
citation:
  ama: 'Longo RC, Cho K, Schmidt WG, Chabal YJ, Thissen P. Monolayer Doping via Phosphonic
    Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy and Density
    Functional Theory Calculations. <i>Advanced Functional Materials</i>. 2013;23:3471-3477.
    doi:<a href="https://doi.org/10.1002/adfm.201202808">10.1002/adfm.201202808</a>'
  apa: 'Longo, R. C., Cho, K., Schmidt, W. G., Chabal, Y. J., &#38; Thissen, P. (2013).
    Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight
    from Infrared Spectroscopy and Density Functional Theory Calculations. <i>Advanced
    Functional Materials</i>, <i>23</i>, 3471–3477. <a href="https://doi.org/10.1002/adfm.201202808">https://doi.org/10.1002/adfm.201202808</a>'
  bibtex: '@article{Longo_Cho_Schmidt_Chabal_Thissen_2013, title={Monolayer Doping
    via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared Spectroscopy
    and Density Functional Theory Calculations}, volume={23}, DOI={<a href="https://doi.org/10.1002/adfm.201202808">10.1002/adfm.201202808</a>},
    journal={Advanced Functional Materials}, author={Longo, Roberto C. and Cho, Kyeongjae
    and Schmidt, Wolf Gero and Chabal, Yves J. and Thissen, Peter}, year={2013}, pages={3471–3477}
    }'
  chicago: 'Longo, Roberto C., Kyeongjae Cho, Wolf Gero Schmidt, Yves J. Chabal, and
    Peter Thissen. “Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic
    Insight from Infrared Spectroscopy and Density Functional Theory Calculations.”
    <i>Advanced Functional Materials</i> 23 (2013): 3471–77. <a href="https://doi.org/10.1002/adfm.201202808">https://doi.org/10.1002/adfm.201202808</a>.'
  ieee: 'R. C. Longo, K. Cho, W. G. Schmidt, Y. J. Chabal, and P. Thissen, “Monolayer
    Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight from Infrared
    Spectroscopy and Density Functional Theory Calculations,” <i>Advanced Functional
    Materials</i>, vol. 23, pp. 3471–3477, 2013, doi: <a href="https://doi.org/10.1002/adfm.201202808">10.1002/adfm.201202808</a>.'
  mla: 'Longo, Roberto C., et al. “Monolayer Doping via Phosphonic Acid Grafting on
    Silicon: Microscopic Insight from Infrared Spectroscopy and Density Functional
    Theory Calculations.” <i>Advanced Functional Materials</i>, vol. 23, 2013, pp.
    3471–77, doi:<a href="https://doi.org/10.1002/adfm.201202808">10.1002/adfm.201202808</a>.'
  short: R.C. Longo, K. Cho, W.G. Schmidt, Y.J. Chabal, P. Thissen, Advanced Functional
    Materials 23 (2013) 3471–3477.
date_created: 2019-09-30T14:07:28Z
date_updated: 2025-12-05T10:29:35Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1002/adfm.201202808
intvolume: '        23'
language:
- iso: eng
page: 3471-3477
publication: Advanced Functional Materials
publication_identifier:
  issn:
  - 1616-301X
publication_status: published
status: public
title: 'Monolayer Doping via Phosphonic Acid Grafting on Silicon: Microscopic Insight
  from Infrared Spectroscopy and Density Functional Theory Calculations'
type: journal_article
user_id: '16199'
volume: 23
year: '2013'
...
---
_id: '13518'
author:
- first_name: T.
  full_name: Frigge, T.
  last_name: Frigge
- first_name: S.
  full_name: Wall, S.
  last_name: Wall
- first_name: B.
  full_name: Krenzer, B.
  last_name: Krenzer
- first_name: St.
  full_name: Wippermann, St.
  last_name: Wippermann
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: F.
  full_name: Klasing, F.
  last_name: Klasing
- first_name: A.
  full_name: Hanisch-Blicharski, A.
  last_name: Hanisch-Blicharski
- first_name: M.
  full_name: Kammler, M.
  last_name: Kammler
- 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: 'Frigge T, Wall S, Krenzer B, et al. Friggeet al.Reply: <i>Physical Review
    Letters</i>. 2013;111:149602. doi:<a href="https://doi.org/10.1103/physrevlett.111.149602">10.1103/physrevlett.111.149602</a>'
  apa: 'Frigge, T., Wall, S., Krenzer, B., Wippermann, St., Sanna, S., Klasing, F.,
    Hanisch-Blicharski, A., Kammler, M., Schmidt, W. G., &#38; Horn-von Hoegen, M.
    (2013). Friggeet al.Reply: <i>Physical Review Letters</i>, <i>111</i>, 149602.
    <a href="https://doi.org/10.1103/physrevlett.111.149602">https://doi.org/10.1103/physrevlett.111.149602</a>'
  bibtex: '@article{Frigge_Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von
    Hoegen_2013, title={Friggeet al.Reply:}, volume={111}, DOI={<a href="https://doi.org/10.1103/physrevlett.111.149602">10.1103/physrevlett.111.149602</a>},
    journal={Physical Review Letters}, author={Frigge, T. and Wall, S. and Krenzer,
    B. and Wippermann, St. and Sanna, S. and Klasing, F. and Hanisch-Blicharski, A.
    and Kammler, M. and Schmidt, Wolf Gero and Horn-von Hoegen, M.}, year={2013},
    pages={149602} }'
  chicago: 'Frigge, T., S. Wall, B. Krenzer, St. Wippermann, S. Sanna, F. Klasing,
    A. Hanisch-Blicharski, M. Kammler, Wolf Gero Schmidt, and M. Horn-von Hoegen.
    “Friggeet al.Reply:” <i>Physical Review Letters</i> 111 (2013): 149602. <a href="https://doi.org/10.1103/physrevlett.111.149602">https://doi.org/10.1103/physrevlett.111.149602</a>.'
  ieee: 'T. Frigge <i>et al.</i>, “Friggeet al.Reply:,” <i>Physical Review Letters</i>,
    vol. 111, p. 149602, 2013, doi: <a href="https://doi.org/10.1103/physrevlett.111.149602">10.1103/physrevlett.111.149602</a>.'
  mla: Frigge, T., et al. “Friggeet al.Reply:” <i>Physical Review Letters</i>, vol.
    111, 2013, p. 149602, doi:<a href="https://doi.org/10.1103/physrevlett.111.149602">10.1103/physrevlett.111.149602</a>.
  short: T. Frigge, S. Wall, B. Krenzer, St. Wippermann, S. Sanna, F. Klasing, A.
    Hanisch-Blicharski, M. Kammler, W.G. Schmidt, M. Horn-von Hoegen, Physical Review
    Letters 111 (2013) 149602.
date_created: 2019-09-30T13:46:55Z
date_updated: 2025-12-05T10:28:23Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1103/physrevlett.111.149602
intvolume: '       111'
language:
- iso: eng
page: '149602'
publication: Physical Review Letters
publication_identifier:
  issn:
  - 0031-9007
  - 1079-7114
publication_status: published
status: public
title: 'Friggeet al.Reply:'
type: journal_article
user_id: '16199'
volume: 111
year: '2013'
...
---
_id: '13519'
author:
- first_name: A.
  full_name: Riefer, A.
  last_name: Riefer
- 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
citation:
  ama: Riefer A, Sanna S, Schmidt WG. LiNb1-xTaxO3Electronic Structure and Optical
    Response fromFirst-PrinciplesCalculations. <i>Ferroelectrics</i>. 2013;447:78-85.
    doi:<a href="https://doi.org/10.1080/00150193.2013.821904">10.1080/00150193.2013.821904</a>
  apa: Riefer, A., Sanna, S., &#38; Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic
    Structure and Optical Response fromFirst-PrinciplesCalculations. <i>Ferroelectrics</i>,
    <i>447</i>, 78–85. <a href="https://doi.org/10.1080/00150193.2013.821904">https://doi.org/10.1080/00150193.2013.821904</a>
  bibtex: '@article{Riefer_Sanna_Schmidt_2013, title={LiNb1-xTaxO3Electronic Structure
    and Optical Response fromFirst-PrinciplesCalculations}, volume={447}, DOI={<a
    href="https://doi.org/10.1080/00150193.2013.821904">10.1080/00150193.2013.821904</a>},
    journal={Ferroelectrics}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero},
    year={2013}, pages={78–85} }'
  chicago: 'Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure
    and Optical Response FromFirst-PrinciplesCalculations.” <i>Ferroelectrics</i>
    447 (2013): 78–85. <a href="https://doi.org/10.1080/00150193.2013.821904">https://doi.org/10.1080/00150193.2013.821904</a>.'
  ieee: 'A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure
    and Optical Response fromFirst-PrinciplesCalculations,” <i>Ferroelectrics</i>,
    vol. 447, pp. 78–85, 2013, doi: <a href="https://doi.org/10.1080/00150193.2013.821904">10.1080/00150193.2013.821904</a>.'
  mla: Riefer, A., et al. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.”
    <i>Ferroelectrics</i>, vol. 447, 2013, pp. 78–85, doi:<a href="https://doi.org/10.1080/00150193.2013.821904">10.1080/00150193.2013.821904</a>.
  short: A. Riefer, S. Sanna, W.G. Schmidt, Ferroelectrics 447 (2013) 78–85.
date_created: 2019-09-30T13:49:40Z
date_updated: 2025-12-05T10:30:58Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1080/00150193.2013.821904
intvolume: '       447'
language:
- iso: eng
page: 78-85
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Ferroelectrics
publication_identifier:
  issn:
  - 0015-0193
  - 1563-5112
publication_status: published
status: public
title: LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations
type: journal_article
user_id: '16199'
volume: 447
year: '2013'
...
---
_id: '13528'
author:
- first_name: B. M.
  full_name: George, B. M.
  last_name: George
- first_name: J.
  full_name: Behrends, J.
  last_name: Behrends
- first_name: A.
  full_name: Schnegg, A.
  last_name: Schnegg
- first_name: T. F.
  full_name: Schulze, T. F.
  last_name: Schulze
- first_name: M.
  full_name: Fehr, M.
  last_name: Fehr
- first_name: L.
  full_name: Korte, L.
  last_name: Korte
- first_name: B.
  full_name: Rech, B.
  last_name: Rech
- first_name: K.
  full_name: Lips, K.
  last_name: Lips
- first_name: M.
  full_name: Rohrmüller, M.
  last_name: Rohrmüller
- 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: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: George BM, Behrends J, Schnegg A, et al. Atomic Structure of Interface States
    in Silicon Heterojunction Solar Cells. <i>Physical Review Letters</i>. 2013;110(13).
    doi:<a href="https://doi.org/10.1103/physrevlett.110.136803">10.1103/physrevlett.110.136803</a>
  apa: George, B. M., Behrends, J., Schnegg, A., Schulze, T. F., Fehr, M., Korte,
    L., Rech, B., Lips, K., Rohrmüller, M., Rauls, E., Schmidt, W. G., &#38; Gerstmann,
    U. (2013). Atomic Structure of Interface States in Silicon Heterojunction Solar
    Cells. <i>Physical Review Letters</i>, <i>110</i>(13). <a href="https://doi.org/10.1103/physrevlett.110.136803">https://doi.org/10.1103/physrevlett.110.136803</a>
  bibtex: '@article{George_Behrends_Schnegg_Schulze_Fehr_Korte_Rech_Lips_Rohrmüller_Rauls_et
    al._2013, title={Atomic Structure of Interface States in Silicon Heterojunction
    Solar Cells}, volume={110}, DOI={<a href="https://doi.org/10.1103/physrevlett.110.136803">10.1103/physrevlett.110.136803</a>},
    number={13}, journal={Physical Review Letters}, author={George, B. M. and Behrends,
    J. and Schnegg, A. and Schulze, T. F. and Fehr, M. and Korte, L. and Rech, B.
    and Lips, K. and Rohrmüller, M. and Rauls, E. and et al.}, year={2013} }'
  chicago: George, B. M., J. Behrends, A. Schnegg, T. F. Schulze, M. Fehr, L. Korte,
    B. Rech, et al. “Atomic Structure of Interface States in Silicon Heterojunction
    Solar Cells.” <i>Physical Review Letters</i> 110, no. 13 (2013). <a href="https://doi.org/10.1103/physrevlett.110.136803">https://doi.org/10.1103/physrevlett.110.136803</a>.
  ieee: 'B. M. George <i>et al.</i>, “Atomic Structure of Interface States in Silicon
    Heterojunction Solar Cells,” <i>Physical Review Letters</i>, vol. 110, no. 13,
    2013, doi: <a href="https://doi.org/10.1103/physrevlett.110.136803">10.1103/physrevlett.110.136803</a>.'
  mla: George, B. M., et al. “Atomic Structure of Interface States in Silicon Heterojunction
    Solar Cells.” <i>Physical Review Letters</i>, vol. 110, no. 13, 2013, doi:<a href="https://doi.org/10.1103/physrevlett.110.136803">10.1103/physrevlett.110.136803</a>.
  short: B.M. George, J. Behrends, A. Schnegg, T.F. Schulze, M. Fehr, L. Korte, B.
    Rech, K. Lips, M. Rohrmüller, E. Rauls, W.G. Schmidt, U. Gerstmann, Physical Review
    Letters 110 (2013).
date_created: 2019-09-30T14:18:37Z
date_updated: 2025-12-05T10:49:37Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevlett.110.136803
intvolume: '       110'
issue: '13'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review Letters
publication_identifier:
  issn:
  - 0031-9007
  - 1079-7114
publication_status: published
status: public
title: Atomic Structure of Interface States in Silicon Heterojunction Solar Cells
type: journal_article
user_id: '16199'
volume: 110
year: '2013'
...
---
_id: '13527'
author:
- first_name: M.
  full_name: Rohrmüller, M.
  last_name: Rohrmüller
- first_name: S.
  full_name: Herres-Pawlis, S.
  last_name: Herres-Pawlis
- first_name: M.
  full_name: Witte, M.
  last_name: Witte
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Rohrmüller M, Herres-Pawlis S, Witte M, Schmidt WG. Bis-μ-oxo and μ-η2:η2-peroxo
    dicopper complexes studied within (time-dependent) density-functional and many-body
    perturbation theory. <i>Journal of Computational Chemistry</i>. 2013;34:1035-1045.
    doi:<a href="https://doi.org/10.1002/jcc.23230">10.1002/jcc.23230</a>
  apa: Rohrmüller, M., Herres-Pawlis, S., Witte, M., &#38; Schmidt, W. G. (2013).
    Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent)
    density-functional and many-body perturbation theory. <i>Journal of Computational
    Chemistry</i>, <i>34</i>, 1035–1045. <a href="https://doi.org/10.1002/jcc.23230">https://doi.org/10.1002/jcc.23230</a>
  bibtex: '@article{Rohrmüller_Herres-Pawlis_Witte_Schmidt_2013, title={Bis-μ-oxo
    and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional
    and many-body perturbation theory}, volume={34}, DOI={<a href="https://doi.org/10.1002/jcc.23230">10.1002/jcc.23230</a>},
    journal={Journal of Computational Chemistry}, author={Rohrmüller, M. and Herres-Pawlis,
    S. and Witte, M. and Schmidt, Wolf Gero}, year={2013}, pages={1035–1045} }'
  chicago: 'Rohrmüller, M., S. Herres-Pawlis, M. Witte, and Wolf Gero Schmidt. “Bis-μ-Oxo
    and μ-Η2:Η2-Peroxo Dicopper Complexes Studied within (Time-Dependent) Density-Functional
    and Many-Body Perturbation Theory.” <i>Journal of Computational Chemistry</i>
    34 (2013): 1035–45. <a href="https://doi.org/10.1002/jcc.23230">https://doi.org/10.1002/jcc.23230</a>.'
  ieee: 'M. Rohrmüller, S. Herres-Pawlis, M. Witte, and W. G. Schmidt, “Bis-μ-oxo
    and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent) density-functional
    and many-body perturbation theory,” <i>Journal of Computational Chemistry</i>,
    vol. 34, pp. 1035–1045, 2013, doi: <a href="https://doi.org/10.1002/jcc.23230">10.1002/jcc.23230</a>.'
  mla: Rohrmüller, M., et al. “Bis-μ-Oxo and μ-Η2:Η2-Peroxo Dicopper Complexes Studied
    within (Time-Dependent) Density-Functional and Many-Body Perturbation Theory.”
    <i>Journal of Computational Chemistry</i>, vol. 34, 2013, pp. 1035–45, doi:<a
    href="https://doi.org/10.1002/jcc.23230">10.1002/jcc.23230</a>.
  short: M. Rohrmüller, S. Herres-Pawlis, M. Witte, W.G. Schmidt, Journal of Computational
    Chemistry 34 (2013) 1035–1045.
date_created: 2019-09-30T14:17:17Z
date_updated: 2025-12-05T10:50:08Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/jcc.23230
intvolume: '        34'
language:
- iso: eng
page: 1035-1045
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: Bis-μ-oxo and μ-η2:η2-peroxo dicopper complexes studied within (time-dependent)
  density-functional and many-body perturbation theory
type: journal_article
user_id: '16199'
volume: 34
year: '2013'
...
---
_id: '13525'
abstract:
- lang: eng
  text: The frequency-dependent dielectric function and the second-order polarizability
    tensor of ferroelectric LiNbO3 are calculated from first principles. The calculations
    are based on the electronic structure obtained from density-functional theory.
    The subsequent application of the GW approximation to account for quasiparticle
    effects and the solution of the Bethe-Salpeter equation for the stoichiometric
    material yield a dielectric function that slightly overestimates the absorption
    onset and the oscillator strength in comparison with experimental measurements.
    Calculations at the level of the independent-particle approximation indicate that
    these deficiencies are, at least, partially related to the neglect of intrinsic
    defects typical for the congruent material. The second-order polarizability calculated
    within the independent-particle approximation predicts strong nonlinear coefficients
    for photon energies above 1.5 eV. The comparison with measured data suggests that
    the inclusion of self-energy effects in the nonlinear optical response leads to
    a better agreement with experiments. The intrinsic defects of congruent samples
    reduce the optical nonlinearities, in particular, for the 21 and 31 tensor components,
    further improving the agreement between experiments and theory.
article_number: '195208'
article_type: original
author:
- first_name: Arthur
  full_name: Riefer, Arthur
  last_name: Riefer
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- 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, Sanna S, Schindlmayr A, Schmidt WG. Optical response of stoichiometric
    and congruent lithium niobate from first-principles calculations. <i>Physical
    Review B</i>. 2013;87(19). doi:<a href="https://doi.org/10.1103/PhysRevB.87.195208">10.1103/PhysRevB.87.195208</a>
  apa: Riefer, A., Sanna, S., Schindlmayr, A., &#38; Schmidt, W. G. (2013). Optical
    response of stoichiometric and congruent lithium niobate from first-principles
    calculations. <i>Physical Review B</i>, <i>87</i>(19), Article 195208. <a href="https://doi.org/10.1103/PhysRevB.87.195208">https://doi.org/10.1103/PhysRevB.87.195208</a>
  bibtex: '@article{Riefer_Sanna_Schindlmayr_Schmidt_2013, title={Optical response
    of stoichiometric and congruent lithium niobate from first-principles calculations},
    volume={87}, DOI={<a href="https://doi.org/10.1103/PhysRevB.87.195208">10.1103/PhysRevB.87.195208</a>},
    number={19195208}, journal={Physical Review B}, publisher={American Physical Society},
    author={Riefer, Arthur and Sanna, Simone and Schindlmayr, Arno and Schmidt, Wolf
    Gero}, year={2013} }'
  chicago: Riefer, Arthur, Simone Sanna, Arno Schindlmayr, and Wolf Gero Schmidt.
    “Optical Response of Stoichiometric and Congruent Lithium Niobate from First-Principles
    Calculations.” <i>Physical Review B</i> 87, no. 19 (2013). <a href="https://doi.org/10.1103/PhysRevB.87.195208">https://doi.org/10.1103/PhysRevB.87.195208</a>.
  ieee: 'A. Riefer, S. Sanna, A. Schindlmayr, and W. G. Schmidt, “Optical response
    of stoichiometric and congruent lithium niobate from first-principles calculations,”
    <i>Physical Review B</i>, vol. 87, no. 19, Art. no. 195208, 2013, doi: <a href="https://doi.org/10.1103/PhysRevB.87.195208">10.1103/PhysRevB.87.195208</a>.'
  mla: Riefer, Arthur, et al. “Optical Response of Stoichiometric and Congruent Lithium
    Niobate from First-Principles Calculations.” <i>Physical Review B</i>, vol. 87,
    no. 19, 195208, American Physical Society, 2013, doi:<a href="https://doi.org/10.1103/PhysRevB.87.195208">10.1103/PhysRevB.87.195208</a>.
  short: A. Riefer, S. Sanna, A. Schindlmayr, W.G. Schmidt, Physical Review B 87 (2013).
date_created: 2019-09-30T14:11:18Z
date_updated: 2025-12-05T10:51:45Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '15'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/PhysRevB.87.195208
external_id:
  isi:
  - '000319391000002'
file:
- access_level: open_access
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-27T22:06:46Z
  date_updated: 2020-08-30T14:53:40Z
  description: © 2013 American Physical Society
  file_id: '18478'
  file_name: PhysRevB.87.195208.pdf
  file_size: 791961
  relation: main_file
  title: Optical response of stoichiometric and congruent lithium niobate from first-principles
    calculations
file_date_updated: 2020-08-30T14:53:40Z
has_accepted_license: '1'
intvolume: '        87'
isi: '1'
issue: '19'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  eissn:
  - 1550-235X
  issn:
  - 1098-0121
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Optical response of stoichiometric and congruent lithium niobate from first-principles
  calculations
type: journal_article
user_id: '16199'
volume: 87
year: '2013'
...
---
_id: '13526'
article_number: '4225'
author:
- first_name: Jens
  full_name: Eberhard, Jens
  last_name: Eberhard
- first_name: Ion
  full_name: Stoll, Ion
  last_name: Stoll
- first_name: Regina
  full_name: Brockhinke, Regina
  last_name: Brockhinke
- first_name: Beate
  full_name: Neumann, Beate
  last_name: Neumann
- first_name: Hans-Georg
  full_name: Stammler, Hans-Georg
  last_name: Stammler
- first_name: Arthur
  full_name: Riefer, Arthur
  last_name: Riefer
- 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: Jochen
  full_name: Mattay, Jochen
  last_name: Mattay
citation:
  ama: 'Eberhard J, Stoll I, Brockhinke R, et al. Structural variety of 5-fluoroarene-2-aminopyrimidine
    in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report
    and overview. <i>CrystEngComm</i>. 2013;15(21). doi:<a href="https://doi.org/10.1039/c2ce26388b">10.1039/c2ce26388b</a>'
  apa: 'Eberhard, J., Stoll, I., Brockhinke, R., Neumann, B., Stammler, H.-G., Riefer,
    A., Rauls, E., Schmidt, W. G., &#38; Mattay, J. (2013). Structural variety of
    5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine silver(i) coordination
    polymers: progress report and overview. <i>CrystEngComm</i>, <i>15</i>(21), Article
    4225. <a href="https://doi.org/10.1039/c2ce26388b">https://doi.org/10.1039/c2ce26388b</a>'
  bibtex: '@article{Eberhard_Stoll_Brockhinke_Neumann_Stammler_Riefer_Rauls_Schmidt_Mattay_2013,
    title={Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to
    2-aminopyrimidine silver(i) coordination polymers: progress report and overview},
    volume={15}, DOI={<a href="https://doi.org/10.1039/c2ce26388b">10.1039/c2ce26388b</a>},
    number={214225}, journal={CrystEngComm}, author={Eberhard, Jens and Stoll, Ion
    and Brockhinke, Regina and Neumann, Beate and Stammler, Hans-Georg and Riefer,
    Arthur and Rauls, Eva and Schmidt, Wolf Gero and Mattay, Jochen}, year={2013}
    }'
  chicago: 'Eberhard, Jens, Ion Stoll, Regina Brockhinke, Beate Neumann, Hans-Georg
    Stammler, Arthur Riefer, Eva Rauls, Wolf Gero Schmidt, and Jochen Mattay. “Structural
    Variety of 5-Fluoroarene-2-Aminopyrimidine in Comparison to 2-Aminopyrimidine
    Silver(i) Coordination Polymers: Progress Report and Overview.” <i>CrystEngComm</i>
    15, no. 21 (2013). <a href="https://doi.org/10.1039/c2ce26388b">https://doi.org/10.1039/c2ce26388b</a>.'
  ieee: 'J. Eberhard <i>et al.</i>, “Structural variety of 5-fluoroarene-2-aminopyrimidine
    in comparison to 2-aminopyrimidine silver(i) coordination polymers: progress report
    and overview,” <i>CrystEngComm</i>, vol. 15, no. 21, Art. no. 4225, 2013, doi:
    <a href="https://doi.org/10.1039/c2ce26388b">10.1039/c2ce26388b</a>.'
  mla: 'Eberhard, Jens, et al. “Structural Variety of 5-Fluoroarene-2-Aminopyrimidine
    in Comparison to 2-Aminopyrimidine Silver(i) Coordination Polymers: Progress Report
    and Overview.” <i>CrystEngComm</i>, vol. 15, no. 21, 4225, 2013, doi:<a href="https://doi.org/10.1039/c2ce26388b">10.1039/c2ce26388b</a>.'
  short: J. Eberhard, I. Stoll, R. Brockhinke, B. Neumann, H.-G. Stammler, A. Riefer,
    E. Rauls, W.G. Schmidt, J. Mattay, CrystEngComm 15 (2013).
date_created: 2019-09-30T14:15:47Z
date_updated: 2025-12-05T10:50:36Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1039/c2ce26388b
funded_apc: '1'
intvolume: '        15'
issue: '21'
language:
- iso: eng
publication: CrystEngComm
publication_identifier:
  issn:
  - 1466-8033
publication_status: published
status: public
title: 'Structural variety of 5-fluoroarene-2-aminopyrimidine in comparison to 2-aminopyrimidine
  silver(i) coordination polymers: progress report and overview'
type: journal_article
user_id: '16199'
volume: 15
year: '2013'
...
---
_id: '15868'
author:
- first_name: M. H.
  full_name: Luk, M. H.
  last_name: Luk
- first_name: Y. C.
  full_name: Tse, Y. C.
  last_name: Tse
- first_name: N. H.
  full_name: Kwong, N. H.
  last_name: Kwong
- first_name: P. T.
  full_name: Leung, P. T.
  last_name: Leung
- first_name: Przemyslaw
  full_name: Lewandowski, Przemyslaw
  last_name: Lewandowski
- first_name: R.
  full_name: Binder, R.
  last_name: Binder
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
citation:
  ama: 'Luk MH, Tse YC, Kwong NH, et al. Transverse optical instability patterns in
    semiconductor microcavities: Polariton scattering and low-intensity all-optical
    switching. <i>Physical Review B</i>. Published online 2013. doi:<a href="https://doi.org/10.1103/physrevb.87.205307">10.1103/physrevb.87.205307</a>'
  apa: 'Luk, M. H., Tse, Y. C., Kwong, N. H., Leung, P. T., Lewandowski, P., Binder,
    R., &#38; Schumacher, S. (2013). Transverse optical instability patterns in semiconductor
    microcavities: Polariton scattering and low-intensity all-optical switching. <i>Physical
    Review B</i>. <a href="https://doi.org/10.1103/physrevb.87.205307">https://doi.org/10.1103/physrevb.87.205307</a>'
  bibtex: '@article{Luk_Tse_Kwong_Leung_Lewandowski_Binder_Schumacher_2013, title={Transverse
    optical instability patterns in semiconductor microcavities: Polariton scattering
    and low-intensity all-optical switching}, DOI={<a href="https://doi.org/10.1103/physrevb.87.205307">10.1103/physrevb.87.205307</a>},
    journal={Physical Review B}, author={Luk, M. H. and Tse, Y. C. and Kwong, N. H.
    and Leung, P. T. and Lewandowski, Przemyslaw and Binder, R. and Schumacher, Stefan},
    year={2013} }'
  chicago: 'Luk, M. H., Y. C. Tse, N. H. Kwong, P. T. Leung, Przemyslaw Lewandowski,
    R. Binder, and Stefan Schumacher. “Transverse Optical Instability Patterns in
    Semiconductor Microcavities: Polariton Scattering and Low-Intensity All-Optical
    Switching.” <i>Physical Review B</i>, 2013. <a href="https://doi.org/10.1103/physrevb.87.205307">https://doi.org/10.1103/physrevb.87.205307</a>.'
  ieee: 'M. H. Luk <i>et al.</i>, “Transverse optical instability patterns in semiconductor
    microcavities: Polariton scattering and low-intensity all-optical switching,”
    <i>Physical Review B</i>, 2013, doi: <a href="https://doi.org/10.1103/physrevb.87.205307">10.1103/physrevb.87.205307</a>.'
  mla: 'Luk, M. H., et al. “Transverse Optical Instability Patterns in Semiconductor
    Microcavities: Polariton Scattering and Low-Intensity All-Optical Switching.”
    <i>Physical Review B</i>, 2013, doi:<a href="https://doi.org/10.1103/physrevb.87.205307">10.1103/physrevb.87.205307</a>.'
  short: M.H. Luk, Y.C. Tse, N.H. Kwong, P.T. Leung, P. Lewandowski, R. Binder, S.
    Schumacher, Physical Review B (2013).
date_created: 2020-02-10T12:02:14Z
date_updated: 2025-12-05T14:54:10Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.87.205307
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: 'Transverse optical instability patterns in semiconductor microcavities: Polariton
  scattering and low-intensity all-optical switching'
type: journal_article
user_id: '16199'
year: '2013'
...
---
_id: '4353'
article_type: original
author:
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
- first_name: Artur
  full_name: Zrenner, Artur
  id: '606'
  last_name: Zrenner
  orcid: 0000-0002-5190-0944
citation:
  ama: Schumacher S, Zrenner A. Two-photon physics with quantum-dot biexcitons. <i>ULTRAFAST
    PHENOMENA AND NANOPHOTONICS XVII</i>. Published online 2013. doi:<a href="https://doi.org/10.1117/12.2004191">10.1117/12.2004191</a>
  apa: Schumacher, S., &#38; Zrenner, A. (2013). Two-photon physics with quantum-dot
    biexcitons. <i>ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII</i>. <a href="https://doi.org/10.1117/12.2004191">https://doi.org/10.1117/12.2004191</a>
  bibtex: '@article{Schumacher_Zrenner_2013, title={Two-photon physics with quantum-dot
    biexcitons}, DOI={<a href="https://doi.org/10.1117/12.2004191">10.1117/12.2004191</a>},
    journal={ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII}, author={Schumacher, Stefan
    and Zrenner, Artur}, year={2013} }'
  chicago: Schumacher, Stefan, and Artur Zrenner. “Two-Photon Physics with Quantum-Dot
    Biexcitons.” <i>ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII</i>, 2013. <a href="https://doi.org/10.1117/12.2004191">https://doi.org/10.1117/12.2004191</a>.
  ieee: 'S. Schumacher and A. Zrenner, “Two-photon physics with quantum-dot biexcitons,”
    <i>ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII</i>, 2013, doi: <a href="https://doi.org/10.1117/12.2004191">10.1117/12.2004191</a>.'
  mla: Schumacher, Stefan, and Artur Zrenner. “Two-Photon Physics with Quantum-Dot
    Biexcitons.” <i>ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII</i>, 2013, doi:<a href="https://doi.org/10.1117/12.2004191">10.1117/12.2004191</a>.
  short: S. Schumacher, A. Zrenner, ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII (2013).
date_created: 2018-09-04T14:18:54Z
date_updated: 2025-12-05T14:52:46Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
- _id: '170'
- _id: '297'
doi: 10.1117/12.2004191
language:
- iso: eng
publication: ULTRAFAST PHENOMENA AND NANOPHOTONICS XVII
publication_identifier:
  issn:
  - 0277-786X
status: public
title: Two-photon physics with quantum-dot biexcitons
type: journal_article
user_id: '16199'
year: '2013'
...
---
_id: '15871'
abstract:
- lang: eng
  text: We derive a transparent and easy-to-use analytic expression for the selection
    rules and the optical dipole matrix elements for carbon nanotubes of arbitrary
    chirality in the presence of axial magnetic fields using a single-orbital π-electron
    tight-binding model. From this, we calculate the linear absorption spectrum for
    arbitrary polarization directions of the incident light, providing insight into
    all optically allowed transition. We show that the transverse absorption peaks
    can be selectively excited with circularly polarized light and spectrally resolved
    in an axial magnetic field.
article_number: '035429'
author:
- first_name: Hong
  full_name: Liu, Hong
  last_name: Liu
- 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, Schumacher S, Meier T. Selection rules and linear absorption spectra
    of carbon nanotubes in axial magnetic fields. <i>Physical Review B</i>. 2013;88(3).
    doi:<a href="https://doi.org/10.1103/physrevb.88.035429">10.1103/physrevb.88.035429</a>
  apa: Liu, H., Schumacher, S., &#38; Meier, T. (2013). Selection rules and linear
    absorption spectra of carbon nanotubes in axial magnetic fields. <i>Physical Review
    B</i>, <i>88</i>(3), Article 035429. <a href="https://doi.org/10.1103/physrevb.88.035429">https://doi.org/10.1103/physrevb.88.035429</a>
  bibtex: '@article{Liu_Schumacher_Meier_2013, title={Selection rules and linear absorption
    spectra of carbon nanotubes in axial magnetic fields}, volume={88}, DOI={<a href="https://doi.org/10.1103/physrevb.88.035429">10.1103/physrevb.88.035429</a>},
    number={3035429}, journal={Physical Review B}, author={Liu, Hong and Schumacher,
    Stefan and Meier, Torsten}, year={2013} }'
  chicago: Liu, Hong, Stefan Schumacher, and Torsten Meier. “Selection Rules and Linear
    Absorption Spectra of Carbon Nanotubes in Axial Magnetic Fields.” <i>Physical
    Review B</i> 88, no. 3 (2013). <a href="https://doi.org/10.1103/physrevb.88.035429">https://doi.org/10.1103/physrevb.88.035429</a>.
  ieee: 'H. Liu, S. Schumacher, and T. Meier, “Selection rules and linear absorption
    spectra of carbon nanotubes in axial magnetic fields,” <i>Physical Review B</i>,
    vol. 88, no. 3, Art. no. 035429, 2013, doi: <a href="https://doi.org/10.1103/physrevb.88.035429">10.1103/physrevb.88.035429</a>.'
  mla: Liu, Hong, et al. “Selection Rules and Linear Absorption Spectra of Carbon
    Nanotubes in Axial Magnetic Fields.” <i>Physical Review B</i>, vol. 88, no. 3,
    035429, 2013, doi:<a href="https://doi.org/10.1103/physrevb.88.035429">10.1103/physrevb.88.035429</a>.
  short: H. Liu, S. Schumacher, T. Meier, Physical Review B 88 (2013).
date_created: 2020-02-10T12:04:34Z
date_updated: 2025-12-05T14:55:03Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '297'
- _id: '230'
- _id: '35'
- _id: '27'
doi: 10.1103/physrevb.88.035429
intvolume: '        88'
issue: '3'
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:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Selection rules and linear absorption spectra of carbon nanotubes in axial
  magnetic fields
type: journal_article
user_id: '16199'
volume: 88
year: '2013'
...
---
_id: '15870'
author:
- first_name: Sanliang
  full_name: Ling, Sanliang
  last_name: Ling
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
- first_name: Ian
  full_name: Galbraith, Ian
  last_name: Galbraith
- first_name: Martin J.
  full_name: Paterson, Martin J.
  last_name: Paterson
citation:
  ama: 'Ling S, Schumacher S, Galbraith I, Paterson MJ. Excited-State Absorption of
    Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of
    Oligofluorenes. <i>The Journal of Physical Chemistry C</i>. Published online 2013:6889-6895.
    doi:<a href="https://doi.org/10.1021/jp401359a">10.1021/jp401359a</a>'
  apa: 'Ling, S., Schumacher, S., Galbraith, I., &#38; Paterson, M. J. (2013). Excited-State
    Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational
    Study of Oligofluorenes. <i>The Journal of Physical Chemistry C</i>, 6889–6895.
    <a href="https://doi.org/10.1021/jp401359a">https://doi.org/10.1021/jp401359a</a>'
  bibtex: '@article{Ling_Schumacher_Galbraith_Paterson_2013, title={Excited-State
    Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational
    Study of Oligofluorenes}, DOI={<a href="https://doi.org/10.1021/jp401359a">10.1021/jp401359a</a>},
    journal={The Journal of Physical Chemistry C}, author={Ling, Sanliang and Schumacher,
    Stefan and Galbraith, Ian and Paterson, Martin J.}, year={2013}, pages={6889–6895}
    }'
  chicago: 'Ling, Sanliang, Stefan Schumacher, Ian Galbraith, and Martin J. Paterson.
    “Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible:
    A Computational Study of Oligofluorenes.” <i>The Journal of Physical Chemistry
    C</i>, 2013, 6889–95. <a href="https://doi.org/10.1021/jp401359a">https://doi.org/10.1021/jp401359a</a>.'
  ieee: 'S. Ling, S. Schumacher, I. Galbraith, and M. J. Paterson, “Excited-State
    Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational
    Study of Oligofluorenes,” <i>The Journal of Physical Chemistry C</i>, pp. 6889–6895,
    2013, doi: <a href="https://doi.org/10.1021/jp401359a">10.1021/jp401359a</a>.'
  mla: 'Ling, Sanliang, et al. “Excited-State Absorption of Conjugated Polymers in
    the Near-Infrared and Visible: A Computational Study of Oligofluorenes.” <i>The
    Journal of Physical Chemistry C</i>, 2013, pp. 6889–95, doi:<a href="https://doi.org/10.1021/jp401359a">10.1021/jp401359a</a>.'
  short: S. Ling, S. Schumacher, I. Galbraith, M.J. Paterson, The Journal of Physical
    Chemistry C (2013) 6889–6895.
date_created: 2020-02-10T12:03:41Z
date_updated: 2025-12-05T14:54:35Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/jp401359a
language:
- iso: eng
page: 6889-6895
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: 'Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible:
  A Computational Study of Oligofluorenes'
type: journal_article
user_id: '16199'
year: '2013'
...
---
_id: '13819'
author:
- first_name: A.
  full_name: Riefer, A.
  last_name: Riefer
- 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
citation:
  ama: Riefer A, Sanna S, Schmidt WG. LiNb1-xTaxO3Electronic Structure and Optical
    Response fromFirst-PrinciplesCalculations. <i>Ferroelectrics</i>. 2013;447:78-85.
    doi:<a href="https://doi.org/10.1080/00150193.2013.821904">10.1080/00150193.2013.821904</a>
  apa: Riefer, A., Sanna, S., &#38; Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic
    Structure and Optical Response fromFirst-PrinciplesCalculations. <i>Ferroelectrics</i>,
    <i>447</i>, 78–85. <a href="https://doi.org/10.1080/00150193.2013.821904">https://doi.org/10.1080/00150193.2013.821904</a>
  bibtex: '@article{Riefer_Sanna_Schmidt_2013, title={LiNb1-xTaxO3Electronic Structure
    and Optical Response fromFirst-PrinciplesCalculations}, volume={447}, DOI={<a
    href="https://doi.org/10.1080/00150193.2013.821904">10.1080/00150193.2013.821904</a>},
    journal={Ferroelectrics}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero},
    year={2013}, pages={78–85} }'
  chicago: 'Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure
    and Optical Response FromFirst-PrinciplesCalculations.” <i>Ferroelectrics</i>
    447 (2013): 78–85. <a href="https://doi.org/10.1080/00150193.2013.821904">https://doi.org/10.1080/00150193.2013.821904</a>.'
  ieee: 'A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure
    and Optical Response fromFirst-PrinciplesCalculations,” <i>Ferroelectrics</i>,
    vol. 447, pp. 78–85, 2013, doi: <a href="https://doi.org/10.1080/00150193.2013.821904">10.1080/00150193.2013.821904</a>.'
  mla: Riefer, A., et al. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.”
    <i>Ferroelectrics</i>, vol. 447, 2013, pp. 78–85, doi:<a href="https://doi.org/10.1080/00150193.2013.821904">10.1080/00150193.2013.821904</a>.
  short: A. Riefer, S. Sanna, W.G. Schmidt, Ferroelectrics 447 (2013) 78–85.
date_created: 2019-10-15T06:45:01Z
date_updated: 2025-12-16T07:52:52Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1080/00150193.2013.821904
funded_apc: '1'
intvolume: '       447'
language:
- iso: eng
page: 78-85
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Ferroelectrics
publication_identifier:
  issn:
  - 0015-0193
  - 1563-5112
publication_status: published
status: public
title: LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations
type: journal_article
user_id: '16199'
volume: 447
year: '2013'
...
---
_id: '18475'
abstract:
- lang: eng
  text: The frequency-dependent dielectric function and the second-order polarizability
    tensor of ferroelectric LiNbO3 are calculated from first principles. The calculations
    are based on the electronic structure obtained from density-functional theory.
    The subsequent application of the GW approximation to account for quasiparticle
    effects and the solution of the Bethe–Salpeter equation yield a dielectric function
    for the stoichiometric material that slightly overestimates the absorption onset
    and the oscillator strength in comparison with experimental measurements. Calculations
    at the level of the independent-particle approximation indicate that these deficiencies
    are at least partially related to the neglect of intrinsic defects typical for
    the congruent material. The second-order polarizability calculated within the
    independent-particle approximation predicts strong nonlinear coefficients for
    photon energies above 1.5 eV. The comparison with measured data suggests that
    self-energy effects improve the agreement between experiment and theory. The intrinsic
    defects of congruent samples reduce the optical nonlinearities, in particular
    for the 21 and 31 tensor components, further improving the agreement with measured
    data.
author:
- first_name: Arthur
  full_name: Riefer, Arthur
  last_name: Riefer
- first_name: Martin
  full_name: Rohrmüller, Martin
  last_name: Rohrmüller
- first_name: Marc
  full_name: Landmann, Marc
  last_name: Landmann
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Eva
  full_name: Rauls, Eva
  last_name: Rauls
- first_name: Nora Jenny
  full_name: Vollmers, Nora Jenny
  last_name: Vollmers
- first_name: Rebecca
  full_name: Hölscher, Rebecca
  last_name: Hölscher
- first_name: Matthias
  full_name: Witte, Matthias
  last_name: Witte
- first_name: Yanlu
  full_name: Li, Yanlu
  last_name: Li
- 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, Rohrmüller M, Landmann M, et al. Lithium niobate dielectric function
    and second-order polarizability tensor from massively parallel ab initio calculations.
    In: Nagel WE, Kröner DH, Resch MM, eds. <i>High Performance Computing in Science
    and Engineering ‘13</i>. Transactions of the High Performance Computing Center,
    Stuttgart. Springer; 2013:93-104. doi:<a href="https://doi.org/10.1007/978-3-319-02165-2_8">10.1007/978-3-319-02165-2_8</a>'
  apa: Riefer, A., Rohrmüller, M., Landmann, M., Sanna, S., Rauls, E., Vollmers, N.
    J., Hölscher, R., Witte, M., Li, Y., Gerstmann, U., Schindlmayr, A., &#38; Schmidt,
    W. G. (2013). Lithium niobate dielectric function and second-order polarizability
    tensor from massively parallel ab initio calculations. In W. E. Nagel, D. H. Kröner,
    &#38; M. M. Resch (Eds.), <i>High Performance Computing in Science and Engineering
    ‘13</i> (pp. 93–104). Springer. <a href="https://doi.org/10.1007/978-3-319-02165-2_8">https://doi.org/10.1007/978-3-319-02165-2_8</a>
  bibtex: '@inbook{Riefer_Rohrmüller_Landmann_Sanna_Rauls_Vollmers_Hölscher_Witte_Li_Gerstmann_et
    al._2013, place={Cham}, series={Transactions of the High Performance Computing
    Center, Stuttgart}, title={Lithium niobate dielectric function and second-order
    polarizability tensor from massively parallel ab initio calculations}, DOI={<a
    href="https://doi.org/10.1007/978-3-319-02165-2_8">10.1007/978-3-319-02165-2_8</a>},
    booktitle={High Performance Computing in Science and Engineering ‘13}, publisher={Springer},
    author={Riefer, Arthur and Rohrmüller, Martin and Landmann, Marc and Sanna, Simone
    and Rauls, Eva and Vollmers, Nora Jenny and Hölscher, Rebecca and Witte, Matthias
    and Li, Yanlu and Gerstmann, Uwe and et al.}, editor={Nagel, Wolfgang E. and Kröner,
    Dietmar H. and Resch, Michael M.}, year={2013}, pages={93–104}, collection={Transactions
    of the High Performance Computing Center, Stuttgart} }'
  chicago: 'Riefer, Arthur, Martin Rohrmüller, Marc Landmann, Simone Sanna, Eva Rauls,
    Nora Jenny Vollmers, Rebecca Hölscher, et al. “Lithium Niobate Dielectric Function
    and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.”
    In <i>High Performance Computing in Science and Engineering ‘13</i>, edited by
    Wolfgang E. Nagel, Dietmar H. Kröner, and Michael M. Resch, 93–104. Transactions
    of the High Performance Computing Center, Stuttgart. Cham: Springer, 2013. <a
    href="https://doi.org/10.1007/978-3-319-02165-2_8">https://doi.org/10.1007/978-3-319-02165-2_8</a>.'
  ieee: 'A. Riefer <i>et al.</i>, “Lithium niobate dielectric function and second-order
    polarizability tensor from massively parallel ab initio calculations,” in <i>High
    Performance Computing in Science and Engineering ‘13</i>, W. E. Nagel, D. H. Kröner,
    and M. M. Resch, Eds. Cham: Springer, 2013, pp. 93–104.'
  mla: Riefer, Arthur, et al. “Lithium Niobate Dielectric Function and Second-Order
    Polarizability Tensor from Massively Parallel Ab Initio Calculations.” <i>High
    Performance Computing in Science and Engineering ‘13</i>, edited by Wolfgang E.
    Nagel et al., Springer, 2013, pp. 93–104, doi:<a href="https://doi.org/10.1007/978-3-319-02165-2_8">10.1007/978-3-319-02165-2_8</a>.
  short: 'A. Riefer, M. Rohrmüller, M. Landmann, S. Sanna, E. Rauls, N.J. Vollmers,
    R. Hölscher, M. Witte, Y. Li, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, in:
    W.E. Nagel, D.H. Kröner, M.M. Resch (Eds.), High Performance Computing in Science
    and Engineering ‘13, Springer, Cham, 2013, pp. 93–104.'
date_created: 2020-08-27T21:48:43Z
date_updated: 2025-12-16T08:07:02Z
ddc:
- '530'
department:
- _id: '296'
- _id: '295'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1007/978-3-319-02165-2_8
editor:
- first_name: Wolfgang E.
  full_name: Nagel, Wolfgang E.
  last_name: Nagel
- first_name: Dietmar H.
  full_name: Kröner, Dietmar H.
  last_name: Kröner
- first_name: Michael M.
  full_name: Resch, Michael M.
  last_name: Resch
external_id:
  isi:
  - '000360004100009'
file:
- access_level: closed
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-28T15:34:44Z
  date_updated: 2020-08-30T14:57:36Z
  description: © 2013 Springer International Publishing, Switzerland
  file_id: '18586'
  file_name: Riefer2013_Chapter_LithiumNiobateDielectricFuncti.pdf
  file_size: 517819
  relation: main_file
  title: Lithium niobate dielectric function and second-order polarizability tensor
    from massively parallel ab initio calculations
file_date_updated: 2020-08-30T14:57:36Z
has_accepted_license: '1'
isi: '1'
language:
- iso: eng
page: 93-104
place: Cham
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: High Performance Computing in Science and Engineering ‘13
publication_identifier:
  eisbn:
  - 978-3-319-02165-2
  isbn:
  - 978-3-319-02164-5
publication_status: published
publisher: Springer
quality_controlled: '1'
series_title: Transactions of the High Performance Computing Center, Stuttgart
status: public
title: Lithium niobate dielectric function and second-order polarizability tensor
  from massively parallel ab initio calculations
type: book_chapter
user_id: '16199'
year: '2013'
...
---
_id: '18476'
abstract:
- lang: eng
  text: We investigate the band dispersion and relevant electronic properties of rubrene
    single crystals within the GW approximation. Due to the self-energy correction,
    the dispersion of the highest occupied molecular orbital (HOMO) band increases
    by 0.10 eV compared to the dispersion of the Kohn-Sham eigenvalues within the
    generalized gradient approximation, and the effective hole mass consequently decreases.
    The resulting value of 0.90 times the electron rest mass along the Γ-Y direction
    in the Brillouin zone is closer to experimental measurements than that obtained
    from density-functional theory. The enhanced bandwidth is explained in terms of
    the intermolecular hybridization of the HOMO(Y) wave function along the stacking
    direction of the molecules. Overall, our results support the bandlike interpretation
    of charge-carrier transport in rubrene.
article_number: '115438'
article_type: original
author:
- first_name: Susumu
  full_name: Yanagisawa, Susumu
  last_name: Yanagisawa
- first_name: Yoshitada
  full_name: Morikawa, Yoshitada
  last_name: Morikawa
- first_name: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
citation:
  ama: 'Yanagisawa S, Morikawa Y, Schindlmayr A. HOMO band dispersion of crystalline
    rubrene: Effects of self-energy corrections within the GW approximation. <i>Physical
    Review B</i>. 2013;88(11). doi:<a href="https://doi.org/10.1103/PhysRevB.88.115438">10.1103/PhysRevB.88.115438</a>'
  apa: 'Yanagisawa, S., Morikawa, Y., &#38; Schindlmayr, A. (2013). HOMO band dispersion
    of crystalline rubrene: Effects of self-energy corrections within the GW approximation.
    <i>Physical Review B</i>, <i>88</i>(11), Article 115438. <a href="https://doi.org/10.1103/PhysRevB.88.115438">https://doi.org/10.1103/PhysRevB.88.115438</a>'
  bibtex: '@article{Yanagisawa_Morikawa_Schindlmayr_2013, title={HOMO band dispersion
    of crystalline rubrene: Effects of self-energy corrections within the GW approximation},
    volume={88}, DOI={<a href="https://doi.org/10.1103/PhysRevB.88.115438">10.1103/PhysRevB.88.115438</a>},
    number={11115438}, journal={Physical Review B}, publisher={American Physical Society},
    author={Yanagisawa, Susumu and Morikawa, Yoshitada and Schindlmayr, Arno}, year={2013}
    }'
  chicago: 'Yanagisawa, Susumu, Yoshitada Morikawa, and Arno Schindlmayr. “HOMO Band
    Dispersion of Crystalline Rubrene: Effects of Self-Energy Corrections within the
    GW Approximation.” <i>Physical Review B</i> 88, no. 11 (2013). <a href="https://doi.org/10.1103/PhysRevB.88.115438">https://doi.org/10.1103/PhysRevB.88.115438</a>.'
  ieee: 'S. Yanagisawa, Y. Morikawa, and A. Schindlmayr, “HOMO band dispersion of
    crystalline rubrene: Effects of self-energy corrections within the GW approximation,”
    <i>Physical Review B</i>, vol. 88, no. 11, Art. no. 115438, 2013, doi: <a href="https://doi.org/10.1103/PhysRevB.88.115438">10.1103/PhysRevB.88.115438</a>.'
  mla: 'Yanagisawa, Susumu, et al. “HOMO Band Dispersion of Crystalline Rubrene: Effects
    of Self-Energy Corrections within the GW Approximation.” <i>Physical Review B</i>,
    vol. 88, no. 11, 115438, American Physical Society, 2013, doi:<a href="https://doi.org/10.1103/PhysRevB.88.115438">10.1103/PhysRevB.88.115438</a>.'
  short: S. Yanagisawa, Y. Morikawa, A. Schindlmayr, Physical Review B 88 (2013).
date_created: 2020-08-27T21:59:44Z
date_updated: 2025-12-16T08:08:02Z
ddc:
- '530'
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '230'
doi: 10.1103/PhysRevB.88.115438
external_id:
  isi:
  - '000325175600010'
file:
- access_level: open_access
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-27T22:01:50Z
  date_updated: 2020-08-30T14:58:43Z
  description: © 2013 American Physical Society
  file_id: '18477'
  file_name: PhysRevB.88.115438.pdf
  file_size: 4438475
  relation: main_file
  title: 'HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections
    within the GW approximation'
file_date_updated: 2020-08-30T14:58:43Z
has_accepted_license: '1'
intvolume: '        88'
isi: '1'
issue: '11'
language:
- iso: eng
oa: '1'
publication: Physical Review B
publication_identifier:
  eissn:
  - 1550-235X
  issn:
  - 1098-0121
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: 'HOMO band dispersion of crystalline rubrene: Effects of self-energy corrections
  within the GW approximation'
type: journal_article
user_id: '16199'
volume: 88
year: '2013'
...
---
_id: '18479'
abstract:
- lang: eng
  text: The GW approximation for the electronic self-energy is an important tool for
    the quantitative prediction of excited states in solids, but its mathematical
    exploration is hampered by the fact that it must, in general, be evaluated numerically
    even for very simple systems. In this paper I describe a nontrivial model consisting
    of two electrons on the surface of a sphere, interacting with the normal long-range
    Coulomb potential, and show that the GW self-energy, in the absence of self-consistency,
    can in fact be derived completely analytically in this case. The resulting expression
    is subsequently used to analyze the convergence of the energy gap between the
    highest occupied and the lowest unoccupied quasiparticle orbital with respect
    to the total number of states included in the spectral summations. The asymptotic
    formula for the truncation error obtained in this way, whose dominant contribution
    is proportional to the cutoff energy to the power −3/2, may be adapted to extrapolate
    energy gaps in other systems.
article_number: '075104'
article_type: original
author:
- first_name: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
citation:
  ama: Schindlmayr A. Analytic evaluation of the electronic self-energy in the GW
    approximation for two electrons on a sphere. <i>Physical Review B</i>. 2013;87(7).
    doi:<a href="https://doi.org/10.1103/PhysRevB.87.075104">10.1103/PhysRevB.87.075104</a>
  apa: Schindlmayr, A. (2013). Analytic evaluation of the electronic self-energy in
    the GW approximation for two electrons on a sphere. <i>Physical Review B</i>,
    <i>87</i>(7), Article 075104. <a href="https://doi.org/10.1103/PhysRevB.87.075104">https://doi.org/10.1103/PhysRevB.87.075104</a>
  bibtex: '@article{Schindlmayr_2013, title={Analytic evaluation of the electronic
    self-energy in the GW approximation for two electrons on a sphere}, volume={87},
    DOI={<a href="https://doi.org/10.1103/PhysRevB.87.075104">10.1103/PhysRevB.87.075104</a>},
    number={7075104}, journal={Physical Review B}, publisher={American Physical Society},
    author={Schindlmayr, Arno}, year={2013} }'
  chicago: Schindlmayr, Arno. “Analytic Evaluation of the Electronic Self-Energy in
    the GW Approximation for Two Electrons on a Sphere.” <i>Physical Review B</i>
    87, no. 7 (2013). <a href="https://doi.org/10.1103/PhysRevB.87.075104">https://doi.org/10.1103/PhysRevB.87.075104</a>.
  ieee: 'A. Schindlmayr, “Analytic evaluation of the electronic self-energy in the
    GW approximation for two electrons on a sphere,” <i>Physical Review B</i>, vol.
    87, no. 7, Art. no. 075104, 2013, doi: <a href="https://doi.org/10.1103/PhysRevB.87.075104">10.1103/PhysRevB.87.075104</a>.'
  mla: Schindlmayr, Arno. “Analytic Evaluation of the Electronic Self-Energy in the
    GW Approximation for Two Electrons on a Sphere.” <i>Physical Review B</i>, vol.
    87, no. 7, 075104, American Physical Society, 2013, doi:<a href="https://doi.org/10.1103/PhysRevB.87.075104">10.1103/PhysRevB.87.075104</a>.
  short: A. Schindlmayr, Physical Review B 87 (2013).
date_created: 2020-08-27T22:09:04Z
date_updated: 2025-12-16T11:08:31Z
ddc:
- '530'
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '230'
doi: 10.1103/PhysRevB.87.075104
external_id:
  arxiv:
  - '1302.6368'
  isi:
  - '000314682500002'
file:
- access_level: open_access
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-28T10:01:56Z
  date_updated: 2020-08-30T14:54:49Z
  description: © 2013 American Physical Society
  file_id: '18541'
  file_name: PhysRevB.87.075104.pdf
  file_size: 229196
  relation: main_file
  title: Analytic evaluation of the electronic self-energy in the GW approximation
    for two electrons on a sphere
file_date_updated: 2020-08-30T14:54:49Z
has_accepted_license: '1'
intvolume: '        87'
isi: '1'
issue: '7'
language:
- iso: eng
oa: '1'
publication: Physical Review B
publication_identifier:
  eissn:
  - 1550-235X
  issn:
  - 1098-0121
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Analytic evaluation of the electronic self-energy in the GW approximation for
  two electrons on a sphere
type: journal_article
user_id: '16199'
volume: 87
year: '2013'
...
---
_id: '40403'
article_number: '075204'
author:
- first_name: Polina
  full_name: Sharapova, Polina
  id: '60286'
  last_name: Sharapova
- first_name: O V
  full_name: Tikhonova, O V
  last_name: Tikhonova
citation:
  ama: Sharapova P, Tikhonova OV. Coherent control of interaction and entanglement
    of a Rydberg atom with few photons. <i>Laser Physics Letters</i>. 2013;10(7).
    doi:<a href="https://doi.org/10.1088/1612-2011/10/7/075204">10.1088/1612-2011/10/7/075204</a>
  apa: Sharapova, P., &#38; Tikhonova, O. V. (2013). Coherent control of interaction
    and entanglement of a Rydberg atom with few photons. <i>Laser Physics Letters</i>,
    <i>10</i>(7), Article 075204. <a href="https://doi.org/10.1088/1612-2011/10/7/075204">https://doi.org/10.1088/1612-2011/10/7/075204</a>
  bibtex: '@article{Sharapova_Tikhonova_2013, title={Coherent control of interaction
    and entanglement of a Rydberg atom with few photons}, volume={10}, DOI={<a href="https://doi.org/10.1088/1612-2011/10/7/075204">10.1088/1612-2011/10/7/075204</a>},
    number={7075204}, journal={Laser Physics Letters}, publisher={IOP Publishing},
    author={Sharapova, Polina and Tikhonova, O V}, year={2013} }'
  chicago: Sharapova, Polina, and O V Tikhonova. “Coherent Control of Interaction
    and Entanglement of a Rydberg Atom with Few Photons.” <i>Laser Physics Letters</i>
    10, no. 7 (2013). <a href="https://doi.org/10.1088/1612-2011/10/7/075204">https://doi.org/10.1088/1612-2011/10/7/075204</a>.
  ieee: 'P. Sharapova and O. V. Tikhonova, “Coherent control of interaction and entanglement
    of a Rydberg atom with few photons,” <i>Laser Physics Letters</i>, vol. 10, no.
    7, Art. no. 075204, 2013, doi: <a href="https://doi.org/10.1088/1612-2011/10/7/075204">10.1088/1612-2011/10/7/075204</a>.'
  mla: Sharapova, Polina, and O. V. Tikhonova. “Coherent Control of Interaction and
    Entanglement of a Rydberg Atom with Few Photons.” <i>Laser Physics Letters</i>,
    vol. 10, no. 7, 075204, IOP Publishing, 2013, doi:<a href="https://doi.org/10.1088/1612-2011/10/7/075204">10.1088/1612-2011/10/7/075204</a>.
  short: P. Sharapova, O.V. Tikhonova, Laser Physics Letters 10 (2013).
date_created: 2023-01-26T14:32:19Z
date_updated: 2025-12-16T11:16:19Z
department:
- _id: '15'
- _id: '569'
- _id: '170'
- _id: '35'
- _id: '230'
doi: 10.1088/1612-2011/10/7/075204
intvolume: '        10'
issue: '7'
keyword:
- Physics and Astronomy (miscellaneous)
- Instrumentation
language:
- iso: eng
publication: Laser Physics Letters
publication_identifier:
  issn:
  - 1612-2011
  - 1612-202X
publication_status: published
publisher: IOP Publishing
status: public
title: Coherent control of interaction and entanglement of a Rydberg atom with few
  photons
type: journal_article
user_id: '16199'
volume: 10
year: '2013'
...
---
_id: '22952'
article_number: '165204'
author:
- first_name: E.
  full_name: Sternemann, E.
  last_name: Sternemann
- first_name: T.
  full_name: Jostmeier, T.
  last_name: Jostmeier
- first_name: C.
  full_name: Ruppert, C.
  last_name: Ruppert
- first_name: H. T.
  full_name: Duc, H. T.
  last_name: Duc
- 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: 'Sternemann E, Jostmeier T, Ruppert C, Duc HT, Meier T, Betz M. Femtosecond
    quantum interference control of electrical currents in GaAs: Signatures beyond
    the perturbative  χ(3)  limit. <i>Physical Review B</i>. 2013;88(16). doi:<a href="https://doi.org/10.1103/physrevb.88.165204">10.1103/physrevb.88.165204</a>'
  apa: 'Sternemann, E., Jostmeier, T., Ruppert, C., Duc, H. T., Meier, T., &#38; Betz,
    M. (2013). Femtosecond quantum interference control of electrical currents in
    GaAs: Signatures beyond the perturbative  χ(3)  limit. <i>Physical Review B</i>,
    <i>88</i>(16), Article 165204. <a href="https://doi.org/10.1103/physrevb.88.165204">https://doi.org/10.1103/physrevb.88.165204</a>'
  bibtex: '@article{Sternemann_Jostmeier_Ruppert_Duc_Meier_Betz_2013, title={Femtosecond
    quantum interference control of electrical currents in GaAs: Signatures beyond
    the perturbative  χ(3)  limit}, volume={88}, DOI={<a href="https://doi.org/10.1103/physrevb.88.165204">10.1103/physrevb.88.165204</a>},
    number={16165204}, journal={Physical Review B}, author={Sternemann, E. and Jostmeier,
    T. and Ruppert, C. and Duc, H. T. and Meier, Torsten and Betz, M.}, year={2013}
    }'
  chicago: 'Sternemann, E., T. Jostmeier, C. Ruppert, H. T. Duc, Torsten Meier, and
    M. Betz. “Femtosecond Quantum Interference Control of Electrical Currents in GaAs:
    Signatures beyond the Perturbative  χ(3)  Limit.” <i>Physical Review B</i> 88,
    no. 16 (2013). <a href="https://doi.org/10.1103/physrevb.88.165204">https://doi.org/10.1103/physrevb.88.165204</a>.'
  ieee: 'E. Sternemann, T. Jostmeier, C. Ruppert, H. T. Duc, T. Meier, and M. Betz,
    “Femtosecond quantum interference control of electrical currents in GaAs: Signatures
    beyond the perturbative  χ(3)  limit,” <i>Physical Review B</i>, vol. 88, no.
    16, Art. no. 165204, 2013, doi: <a href="https://doi.org/10.1103/physrevb.88.165204">10.1103/physrevb.88.165204</a>.'
  mla: 'Sternemann, E., et al. “Femtosecond Quantum Interference Control of Electrical
    Currents in GaAs: Signatures beyond the Perturbative  χ(3)  Limit.” <i>Physical
    Review B</i>, vol. 88, no. 16, 165204, 2013, doi:<a href="https://doi.org/10.1103/physrevb.88.165204">10.1103/physrevb.88.165204</a>.'
  short: E. Sternemann, T. Jostmeier, C. Ruppert, H.T. Duc, T. Meier, M. Betz, Physical
    Review B 88 (2013).
date_created: 2021-08-06T08:57:39Z
date_updated: 2025-12-16T11:37:58Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
- _id: '35'
doi: 10.1103/physrevb.88.165204
intvolume: '        88'
issue: '16'
language:
- iso: eng
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: 'Femtosecond quantum interference control of electrical currents in GaAs: Signatures
  beyond the perturbative  χ(3)  limit'
type: journal_article
user_id: '16199'
volume: 88
year: '2013'
...
---
_id: '7300'
author:
- first_name: A. M.
  full_name: Burke, A. M.
  last_name: Burke
- first_name: D. E. J.
  full_name: Waddington, D. E. J.
  last_name: Waddington
- first_name: D. J.
  full_name: Carrad, D. J.
  last_name: Carrad
- first_name: R. W.
  full_name: Lyttleton, R. W.
  last_name: Lyttleton
- first_name: H. H.
  full_name: Tan, H. H.
  last_name: Tan
- first_name: P. J.
  full_name: Reece, P. J.
  last_name: Reece
- first_name: O.
  full_name: Klochan, O.
  last_name: Klochan
- first_name: A. R.
  full_name: Hamilton, A. R.
  last_name: Hamilton
- first_name: A.
  full_name: Rai, A.
  last_name: Rai
- first_name: Dirk
  full_name: Reuter, Dirk
  id: '37763'
  last_name: Reuter
- first_name: A. D.
  full_name: Wieck, A. D.
  last_name: Wieck
- first_name: A. P.
  full_name: Micolich, A. P.
  last_name: Micolich
citation:
  ama: Burke AM, Waddington DEJ, Carrad DJ, et al. Origin of gate hysteresis inp-type
    Si-doped AlGaAs/GaAs heterostructures. <i>Physical Review B</i>. 2012;86(16).
    doi:<a href="https://doi.org/10.1103/physrevb.86.165309">10.1103/physrevb.86.165309</a>
  apa: Burke, A. M., Waddington, D. E. J., Carrad, D. J., Lyttleton, R. W., Tan, H.
    H., Reece, P. J., … Micolich, A. P. (2012). Origin of gate hysteresis inp-type
    Si-doped AlGaAs/GaAs heterostructures. <i>Physical Review B</i>, <i>86</i>(16).
    <a href="https://doi.org/10.1103/physrevb.86.165309">https://doi.org/10.1103/physrevb.86.165309</a>
  bibtex: '@article{Burke_Waddington_Carrad_Lyttleton_Tan_Reece_Klochan_Hamilton_Rai_Reuter_et
    al._2012, title={Origin of gate hysteresis inp-type Si-doped AlGaAs/GaAs heterostructures},
    volume={86}, DOI={<a href="https://doi.org/10.1103/physrevb.86.165309">10.1103/physrevb.86.165309</a>},
    number={16}, journal={Physical Review B}, publisher={American Physical Society
    (APS)}, author={Burke, A. M. and Waddington, D. E. J. and Carrad, D. J. and Lyttleton,
    R. W. and Tan, H. H. and Reece, P. J. and Klochan, O. and Hamilton, A. R. and
    Rai, A. and Reuter, Dirk and et al.}, year={2012} }'
  chicago: Burke, A. M., D. E. J. Waddington, D. J. Carrad, R. W. Lyttleton, H. H.
    Tan, P. J. Reece, O. Klochan, et al. “Origin of Gate Hysteresis Inp-Type Si-Doped
    AlGaAs/GaAs Heterostructures.” <i>Physical Review B</i> 86, no. 16 (2012). <a
    href="https://doi.org/10.1103/physrevb.86.165309">https://doi.org/10.1103/physrevb.86.165309</a>.
  ieee: A. M. Burke <i>et al.</i>, “Origin of gate hysteresis inp-type Si-doped AlGaAs/GaAs
    heterostructures,” <i>Physical Review B</i>, vol. 86, no. 16, 2012.
  mla: Burke, A. M., et al. “Origin of Gate Hysteresis Inp-Type Si-Doped AlGaAs/GaAs
    Heterostructures.” <i>Physical Review B</i>, vol. 86, no. 16, American Physical
    Society (APS), 2012, doi:<a href="https://doi.org/10.1103/physrevb.86.165309">10.1103/physrevb.86.165309</a>.
  short: A.M. Burke, D.E.J. Waddington, D.J. Carrad, R.W. Lyttleton, H.H. Tan, P.J.
    Reece, O. Klochan, A.R. Hamilton, A. Rai, D. Reuter, A.D. Wieck, A.P. Micolich,
    Physical Review B 86 (2012).
date_created: 2019-01-31T09:04:16Z
date_updated: 2022-01-06T07:03:33Z
department:
- _id: '15'
- _id: '230'
doi: 10.1103/physrevb.86.165309
intvolume: '        86'
issue: '16'
language:
- iso: eng
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Origin of gate hysteresis inp-type Si-doped AlGaAs/GaAs heterostructures
type: journal_article
user_id: '42514'
volume: 86
year: '2012'
...
