---
_id: '13548'
author:
- first_name: Peter
  full_name: Thissen, Peter
  last_name: Thissen
- first_name: Vera
  full_name: Thissen, Vera
  last_name: Thissen
- first_name: Stefan
  full_name: Wippermann, Stefan
  last_name: Wippermann
- first_name: Yves J.
  full_name: Chabal, Yves J.
  last_name: Chabal
- first_name: Guido
  full_name: Grundmeier, Guido
  id: '194'
  last_name: Grundmeier
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Thissen P, Thissen V, Wippermann S, Chabal YJ, Grundmeier G, Schmidt WG. pH-dependent
    structure and energetics of H2O/MgO(100). <i>Surface Science</i>. 2012;606:902-907.
    doi:<a href="https://doi.org/10.1016/j.susc.2012.01.018">10.1016/j.susc.2012.01.018</a>
  apa: Thissen, P., Thissen, V., Wippermann, S., Chabal, Y. J., Grundmeier, G., &#38;
    Schmidt, W. G. (2012). pH-dependent structure and energetics of H2O/MgO(100).
    <i>Surface Science</i>, <i>606</i>, 902–907. <a href="https://doi.org/10.1016/j.susc.2012.01.018">https://doi.org/10.1016/j.susc.2012.01.018</a>
  bibtex: '@article{Thissen_Thissen_Wippermann_Chabal_Grundmeier_Schmidt_2012, title={pH-dependent
    structure and energetics of H2O/MgO(100)}, volume={606}, DOI={<a href="https://doi.org/10.1016/j.susc.2012.01.018">10.1016/j.susc.2012.01.018</a>},
    journal={Surface Science}, author={Thissen, Peter and Thissen, Vera and Wippermann,
    Stefan and Chabal, Yves J. and Grundmeier, Guido and Schmidt, Wolf Gero}, year={2012},
    pages={902–907} }'
  chicago: 'Thissen, Peter, Vera Thissen, Stefan Wippermann, Yves J. Chabal, Guido
    Grundmeier, and Wolf Gero Schmidt. “PH-Dependent Structure and Energetics of H2O/MgO(100).”
    <i>Surface Science</i> 606 (2012): 902–7. <a href="https://doi.org/10.1016/j.susc.2012.01.018">https://doi.org/10.1016/j.susc.2012.01.018</a>.'
  ieee: 'P. Thissen, V. Thissen, S. Wippermann, Y. J. Chabal, G. Grundmeier, and W.
    G. Schmidt, “pH-dependent structure and energetics of H2O/MgO(100),” <i>Surface
    Science</i>, vol. 606, pp. 902–907, 2012, doi: <a href="https://doi.org/10.1016/j.susc.2012.01.018">10.1016/j.susc.2012.01.018</a>.'
  mla: Thissen, Peter, et al. “PH-Dependent Structure and Energetics of H2O/MgO(100).”
    <i>Surface Science</i>, vol. 606, 2012, pp. 902–07, doi:<a href="https://doi.org/10.1016/j.susc.2012.01.018">10.1016/j.susc.2012.01.018</a>.
  short: P. Thissen, V. Thissen, S. Wippermann, Y.J. Chabal, G. Grundmeier, W.G. Schmidt,
    Surface Science 606 (2012) 902–907.
date_created: 2019-09-30T14:54:38Z
date_updated: 2025-12-05T10:44:50Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '165'
- _id: '302'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.susc.2012.01.018
intvolume: '       606'
language:
- iso: eng
page: 902-907
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Surface Science
publication_identifier:
  issn:
  - 0039-6028
publication_status: published
status: public
title: pH-dependent structure and energetics of H2O/MgO(100)
type: journal_article
user_id: '16199'
volume: 606
year: '2012'
...
---
_id: '13542'
author:
- first_name: Peter
  full_name: Thissen, Peter
  last_name: Thissen
- first_name: Tatiana
  full_name: Peixoto, Tatiana
  last_name: Peixoto
- first_name: Roberto C.
  full_name: Longo, Roberto C.
  last_name: Longo
- first_name: Weina
  full_name: Peng, Weina
  last_name: Peng
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Kyeongjae
  full_name: Cho, Kyeongjae
  last_name: Cho
- first_name: Yves J.
  full_name: Chabal, Yves J.
  last_name: Chabal
citation:
  ama: Thissen P, Peixoto T, Longo RC, et al. Activation of Surface Hydroxyl Groups
    by Modification of H-Terminated Si(111) Surfaces. <i>Journal of the American Chemical
    Society</i>. 2012;134:8869-8874. doi:<a href="https://doi.org/10.1021/ja300270w">10.1021/ja300270w</a>
  apa: Thissen, P., Peixoto, T., Longo, R. C., Peng, W., Schmidt, W. G., Cho, K.,
    &#38; Chabal, Y. J. (2012). Activation of Surface Hydroxyl Groups by Modification
    of H-Terminated Si(111) Surfaces. <i>Journal of the American Chemical Society</i>,
    <i>134</i>, 8869–8874. <a href="https://doi.org/10.1021/ja300270w">https://doi.org/10.1021/ja300270w</a>
  bibtex: '@article{Thissen_Peixoto_Longo_Peng_Schmidt_Cho_Chabal_2012, title={Activation
    of Surface Hydroxyl Groups by Modification of H-Terminated Si(111) Surfaces},
    volume={134}, DOI={<a href="https://doi.org/10.1021/ja300270w">10.1021/ja300270w</a>},
    journal={Journal of the American Chemical Society}, author={Thissen, Peter and
    Peixoto, Tatiana and Longo, Roberto C. and Peng, Weina and Schmidt, Wolf Gero
    and Cho, Kyeongjae and Chabal, Yves J.}, year={2012}, pages={8869–8874} }'
  chicago: 'Thissen, Peter, Tatiana Peixoto, Roberto C. Longo, Weina Peng, Wolf Gero
    Schmidt, Kyeongjae Cho, and Yves J. Chabal. “Activation of Surface Hydroxyl Groups
    by Modification of H-Terminated Si(111) Surfaces.” <i>Journal of the American
    Chemical Society</i> 134 (2012): 8869–74. <a href="https://doi.org/10.1021/ja300270w">https://doi.org/10.1021/ja300270w</a>.'
  ieee: 'P. Thissen <i>et al.</i>, “Activation of Surface Hydroxyl Groups by Modification
    of H-Terminated Si(111) Surfaces,” <i>Journal of the American Chemical Society</i>,
    vol. 134, pp. 8869–8874, 2012, doi: <a href="https://doi.org/10.1021/ja300270w">10.1021/ja300270w</a>.'
  mla: Thissen, Peter, et al. “Activation of Surface Hydroxyl Groups by Modification
    of H-Terminated Si(111) Surfaces.” <i>Journal of the American Chemical Society</i>,
    vol. 134, 2012, pp. 8869–74, doi:<a href="https://doi.org/10.1021/ja300270w">10.1021/ja300270w</a>.
  short: P. Thissen, T. Peixoto, R.C. Longo, W. Peng, W.G. Schmidt, K. Cho, Y.J. Chabal,
    Journal of the American Chemical Society 134 (2012) 8869–8874.
date_created: 2019-09-30T14:46:39Z
date_updated: 2025-12-05T10:46:09Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1021/ja300270w
intvolume: '       134'
language:
- iso: eng
page: 8869-8874
publication: Journal of the American Chemical Society
publication_identifier:
  issn:
  - 0002-7863
  - 1520-5126
publication_status: published
status: public
title: Activation of Surface Hydroxyl Groups by Modification of H-Terminated Si(111)
  Surfaces
type: journal_article
user_id: '16199'
volume: 134
year: '2012'
...
---
_id: '13543'
author:
- 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: T.
  full_name: Pertram, T.
  last_name: Pertram
- first_name: K.
  full_name: Wandelt, K.
  last_name: Wandelt
citation:
  ama: Rauls E, Schmidt WG, Pertram T, Wandelt K. Interplay between metal-free phthalocyanine
    molecules and Au(110) substrates. <i>Surface Science</i>. 2012;606:1120-1125.
    doi:<a href="https://doi.org/10.1016/j.susc.2012.03.010">10.1016/j.susc.2012.03.010</a>
  apa: Rauls, E., Schmidt, W. G., Pertram, T., &#38; Wandelt, K. (2012). Interplay
    between metal-free phthalocyanine molecules and Au(110) substrates. <i>Surface
    Science</i>, <i>606</i>, 1120–1125. <a href="https://doi.org/10.1016/j.susc.2012.03.010">https://doi.org/10.1016/j.susc.2012.03.010</a>
  bibtex: '@article{Rauls_Schmidt_Pertram_Wandelt_2012, title={Interplay between metal-free
    phthalocyanine molecules and Au(110) substrates}, volume={606}, DOI={<a href="https://doi.org/10.1016/j.susc.2012.03.010">10.1016/j.susc.2012.03.010</a>},
    journal={Surface Science}, author={Rauls, E. and Schmidt, Wolf Gero and Pertram,
    T. and Wandelt, K.}, year={2012}, pages={1120–1125} }'
  chicago: 'Rauls, E., Wolf Gero Schmidt, T. Pertram, and K. Wandelt. “Interplay between
    Metal-Free Phthalocyanine Molecules and Au(110) Substrates.” <i>Surface Science</i>
    606 (2012): 1120–25. <a href="https://doi.org/10.1016/j.susc.2012.03.010">https://doi.org/10.1016/j.susc.2012.03.010</a>.'
  ieee: 'E. Rauls, W. G. Schmidt, T. Pertram, and K. Wandelt, “Interplay between metal-free
    phthalocyanine molecules and Au(110) substrates,” <i>Surface Science</i>, vol.
    606, pp. 1120–1125, 2012, doi: <a href="https://doi.org/10.1016/j.susc.2012.03.010">10.1016/j.susc.2012.03.010</a>.'
  mla: Rauls, E., et al. “Interplay between Metal-Free Phthalocyanine Molecules and
    Au(110) Substrates.” <i>Surface Science</i>, vol. 606, 2012, pp. 1120–25, doi:<a
    href="https://doi.org/10.1016/j.susc.2012.03.010">10.1016/j.susc.2012.03.010</a>.
  short: E. Rauls, W.G. Schmidt, T. Pertram, K. Wandelt, Surface Science 606 (2012)
    1120–1125.
date_created: 2019-09-30T14:47:52Z
date_updated: 2025-12-05T10:45:51Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.susc.2012.03.010
intvolume: '       606'
language:
- iso: eng
page: 1120-1125
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Surface Science
publication_identifier:
  issn:
  - 0039-6028
publication_status: published
status: public
title: Interplay between metal-free phthalocyanine molecules and Au(110) substrates
type: journal_article
user_id: '16199'
volume: 606
year: '2012'
...
---
_id: '13560'
author:
- first_name: R.
  full_name: Hölscher, R.
  last_name: Hölscher
- 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: Hölscher R, Sanna S, Schmidt WG. Adsorption of OH and H at the LiNbO3(0001)
    surface. <i>physica status solidi (c)</i>. 2012;9(6):1361-1365. doi:<a href="https://doi.org/10.1002/pssc.201100534">10.1002/pssc.201100534</a>
  apa: Hölscher, R., Sanna, S., &#38; Schmidt, W. G. (2012). Adsorption of OH and
    H at the LiNbO3(0001) surface. <i>Physica Status Solidi (c)</i>, <i>9</i>(6),
    1361–1365. <a href="https://doi.org/10.1002/pssc.201100534">https://doi.org/10.1002/pssc.201100534</a>
  bibtex: '@article{Hölscher_Sanna_Schmidt_2012, title={Adsorption of OH and H at
    the LiNbO3(0001) surface}, volume={9}, DOI={<a href="https://doi.org/10.1002/pssc.201100534">10.1002/pssc.201100534</a>},
    number={6}, journal={physica status solidi (c)}, author={Hölscher, R. and Sanna,
    S. and Schmidt, Wolf Gero}, year={2012}, pages={1361–1365} }'
  chicago: 'Hölscher, R., S. Sanna, and Wolf Gero Schmidt. “Adsorption of OH and H
    at the LiNbO3(0001) Surface.” <i>Physica Status Solidi (c)</i> 9, no. 6 (2012):
    1361–65. <a href="https://doi.org/10.1002/pssc.201100534">https://doi.org/10.1002/pssc.201100534</a>.'
  ieee: 'R. Hölscher, S. Sanna, and W. G. Schmidt, “Adsorption of OH and H at the
    LiNbO3(0001) surface,” <i>physica status solidi (c)</i>, vol. 9, no. 6, pp. 1361–1365,
    2012, doi: <a href="https://doi.org/10.1002/pssc.201100534">10.1002/pssc.201100534</a>.'
  mla: Hölscher, R., et al. “Adsorption of OH and H at the LiNbO3(0001) Surface.”
    <i>Physica Status Solidi (c)</i>, vol. 9, no. 6, 2012, pp. 1361–65, doi:<a href="https://doi.org/10.1002/pssc.201100534">10.1002/pssc.201100534</a>.
  short: R. Hölscher, S. Sanna, W.G. Schmidt, Physica Status Solidi (c) 9 (2012) 1361–1365.
date_created: 2019-10-01T08:46:37Z
date_updated: 2025-12-05T10:44:11Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.201100534
intvolume: '         9'
issue: '6'
language:
- iso: eng
page: 1361-1365
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
publication_status: published
status: public
title: Adsorption of OH and H at the LiNbO3(0001) surface
type: journal_article
user_id: '16199'
volume: 9
year: '2012'
...
---
_id: '13539'
author:
- 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: Sanna, S.
  last_name: Sanna
- first_name: S.
  full_name: Klassen, S.
  last_name: Klassen
- 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: Rode S, Hölscher R, Sanna S, et al. Atomic-resolution imaging of the polar
    (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force
    microscopy. <i>Physical Review B</i>. 2012;86(7). doi:<a href="https://doi.org/10.1103/physrevb.86.075468">10.1103/physrevb.86.075468</a>
  apa: Rode, S., Hölscher, R., Sanna, S., Klassen, S., Kobayashi, K., Yamada, H.,
    Schmidt, W. G., &#38; Kühnle, A. (2012). Atomic-resolution imaging of the polar
    (0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force
    microscopy. <i>Physical Review B</i>, <i>86</i>(7). <a href="https://doi.org/10.1103/physrevb.86.075468">https://doi.org/10.1103/physrevb.86.075468</a>
  bibtex: '@article{Rode_Hölscher_Sanna_Klassen_Kobayashi_Yamada_Schmidt_Kühnle_2012,
    title={Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous
    solution by frequency modulation atomic force microscopy}, volume={86}, DOI={<a
    href="https://doi.org/10.1103/physrevb.86.075468">10.1103/physrevb.86.075468</a>},
    number={7}, journal={Physical Review B}, author={Rode, S. and Hölscher, R. and
    Sanna, S. and Klassen, S. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero
    and Kühnle, A.}, year={2012} }'
  chicago: Rode, S., R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, Wolf
    Gero Schmidt, and A. Kühnle. “Atomic-Resolution Imaging of the Polar (0001¯) Surface
    of LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.”
    <i>Physical Review B</i> 86, no. 7 (2012). <a href="https://doi.org/10.1103/physrevb.86.075468">https://doi.org/10.1103/physrevb.86.075468</a>.
  ieee: 'S. Rode <i>et al.</i>, “Atomic-resolution imaging of the polar (0001¯) surface
    of LiNbO3in aqueous solution by frequency modulation atomic force microscopy,”
    <i>Physical Review B</i>, vol. 86, no. 7, 2012, doi: <a href="https://doi.org/10.1103/physrevb.86.075468">10.1103/physrevb.86.075468</a>.'
  mla: Rode, S., et al. “Atomic-Resolution Imaging of the Polar (0001¯) Surface of
    LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.” <i>Physical
    Review B</i>, vol. 86, no. 7, 2012, doi:<a href="https://doi.org/10.1103/physrevb.86.075468">10.1103/physrevb.86.075468</a>.
  short: S. Rode, R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, W.G.
    Schmidt, A. Kühnle, Physical Review B 86 (2012).
date_created: 2019-09-30T14:41:52Z
date_updated: 2025-12-05T10:46:56Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.86.075468
intvolume: '        86'
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:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous
  solution by frequency modulation atomic force microscopy
type: journal_article
user_id: '16199'
volume: 86
year: '2012'
...
---
_id: '13534'
author:
- first_name: Simone
  full_name: Wall, Simone
  last_name: Wall
- first_name: Boris
  full_name: Krenzer, Boris
  last_name: Krenzer
- first_name: Stefan
  full_name: Wippermann, Stefan
  last_name: Wippermann
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Friedrich
  full_name: Klasing, Friedrich
  last_name: Klasing
- first_name: Anja
  full_name: Hanisch-Blicharski, Anja
  last_name: Hanisch-Blicharski
- first_name: Martin
  full_name: Kammler, Martin
  last_name: Kammler
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Michael
  full_name: Horn-von Hoegen, Michael
  last_name: Horn-von Hoegen
citation:
  ama: Wall S, Krenzer B, Wippermann S, et al. Atomistic Picture of Charge Density
    Wave Formation at Surfaces. <i>Physical Review Letters</i>. 2012;109(18). doi:<a
    href="https://doi.org/10.1103/physrevlett.109.186101">10.1103/physrevlett.109.186101</a>
  apa: Wall, S., Krenzer, B., Wippermann, S., Sanna, S., Klasing, F., Hanisch-Blicharski,
    A., Kammler, M., Schmidt, W. G., &#38; Horn-von Hoegen, M. (2012). Atomistic Picture
    of Charge Density Wave Formation at Surfaces. <i>Physical Review Letters</i>,
    <i>109</i>(18). <a href="https://doi.org/10.1103/physrevlett.109.186101">https://doi.org/10.1103/physrevlett.109.186101</a>
  bibtex: '@article{Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von Hoegen_2012,
    title={Atomistic Picture of Charge Density Wave Formation at Surfaces}, volume={109},
    DOI={<a href="https://doi.org/10.1103/physrevlett.109.186101">10.1103/physrevlett.109.186101</a>},
    number={18}, journal={Physical Review Letters}, author={Wall, Simone and Krenzer,
    Boris and Wippermann, Stefan and Sanna, Simone and Klasing, Friedrich and Hanisch-Blicharski,
    Anja and Kammler, Martin and Schmidt, Wolf Gero and Horn-von Hoegen, Michael},
    year={2012} }'
  chicago: Wall, Simone, Boris Krenzer, Stefan Wippermann, Simone Sanna, Friedrich
    Klasing, Anja Hanisch-Blicharski, Martin Kammler, Wolf Gero Schmidt, and Michael
    Horn-von Hoegen. “Atomistic Picture of Charge Density Wave Formation at Surfaces.”
    <i>Physical Review Letters</i> 109, no. 18 (2012). <a href="https://doi.org/10.1103/physrevlett.109.186101">https://doi.org/10.1103/physrevlett.109.186101</a>.
  ieee: 'S. Wall <i>et al.</i>, “Atomistic Picture of Charge Density Wave Formation
    at Surfaces,” <i>Physical Review Letters</i>, vol. 109, no. 18, 2012, doi: <a
    href="https://doi.org/10.1103/physrevlett.109.186101">10.1103/physrevlett.109.186101</a>.'
  mla: Wall, Simone, et al. “Atomistic Picture of Charge Density Wave Formation at
    Surfaces.” <i>Physical Review Letters</i>, vol. 109, no. 18, 2012, doi:<a href="https://doi.org/10.1103/physrevlett.109.186101">10.1103/physrevlett.109.186101</a>.
  short: S. Wall, B. Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski,
    M. Kammler, W.G. Schmidt, M. Horn-von Hoegen, Physical Review Letters 109 (2012).
date_created: 2019-09-30T14:30:43Z
date_updated: 2025-12-05T10:48:24Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevlett.109.186101
intvolume: '       109'
issue: '18'
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: Atomistic Picture of Charge Density Wave Formation at Surfaces
type: journal_article
user_id: '16199'
volume: 109
year: '2012'
...
---
_id: '13536'
author:
- first_name: Arthur
  full_name: Riefer, Arthur
  last_name: Riefer
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Alexander V.
  full_name: Gavrilenko, Alexander V.
  last_name: Gavrilenko
- 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, Gavrilenko AV, Schmidt WG. Linear and nonlinear optical
    response of LiNbO3 calculated from first principles. <i>IEEE Transactions on Ultrasonics,
    Ferroelectrics, and Frequency Control</i>. 2012;59(9):1929-1933. doi:<a href="https://doi.org/10.1109/tuffc.2012.2409">10.1109/tuffc.2012.2409</a>
  apa: Riefer, A., Sanna, S., Gavrilenko, A. V., &#38; Schmidt, W. G. (2012). Linear
    and nonlinear optical response of LiNbO3 calculated from first principles. <i>IEEE
    Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>, <i>59</i>(9),
    1929–1933. <a href="https://doi.org/10.1109/tuffc.2012.2409">https://doi.org/10.1109/tuffc.2012.2409</a>
  bibtex: '@article{Riefer_Sanna_Gavrilenko_Schmidt_2012, title={Linear and nonlinear
    optical response of LiNbO3 calculated from first principles}, volume={59}, DOI={<a
    href="https://doi.org/10.1109/tuffc.2012.2409">10.1109/tuffc.2012.2409</a>}, number={9},
    journal={IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control},
    author={Riefer, Arthur and Sanna, Simone and Gavrilenko, Alexander V. and Schmidt,
    Wolf Gero}, year={2012}, pages={1929–1933} }'
  chicago: 'Riefer, Arthur, Simone Sanna, Alexander V. Gavrilenko, and Wolf Gero Schmidt.
    “Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.”
    <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control</i>
    59, no. 9 (2012): 1929–33. <a href="https://doi.org/10.1109/tuffc.2012.2409">https://doi.org/10.1109/tuffc.2012.2409</a>.'
  ieee: 'A. Riefer, S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Linear and nonlinear
    optical response of LiNbO3 calculated from first principles,” <i>IEEE Transactions
    on Ultrasonics, Ferroelectrics, and Frequency Control</i>, vol. 59, no. 9, pp.
    1929–1933, 2012, doi: <a href="https://doi.org/10.1109/tuffc.2012.2409">10.1109/tuffc.2012.2409</a>.'
  mla: Riefer, Arthur, et al. “Linear and Nonlinear Optical Response of LiNbO3 Calculated
    from First Principles.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics, and
    Frequency Control</i>, vol. 59, no. 9, 2012, pp. 1929–33, doi:<a href="https://doi.org/10.1109/tuffc.2012.2409">10.1109/tuffc.2012.2409</a>.
  short: A. Riefer, S. Sanna, A.V. Gavrilenko, W.G. Schmidt, IEEE Transactions on
    Ultrasonics, Ferroelectrics, and Frequency Control 59 (2012) 1929–1933.
date_created: 2019-09-30T14:36:41Z
date_updated: 2025-12-05T10:47:36Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1109/tuffc.2012.2409
intvolume: '        59'
issue: '9'
language:
- iso: eng
page: 1929-1933
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control
publication_identifier:
  issn:
  - 0885-3010
publication_status: published
status: public
title: Linear and nonlinear optical response of LiNbO3 calculated from first principles
type: journal_article
user_id: '16199'
volume: 59
year: '2012'
...
---
_id: '13541'
author:
- first_name: M.
  full_name: Landmann, M.
  last_name: Landmann
- first_name: T.
  full_name: Köhler, T.
  last_name: Köhler
- first_name: S.
  full_name: Köppen, S.
  last_name: Köppen
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: T.
  full_name: Frauenheim, T.
  last_name: Frauenheim
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Landmann M, Köhler T, Köppen S, Rauls E, Frauenheim T, Schmidt WG. Fingerprints
    of order and disorder in the electronic and optical properties of crystalline
    and amorphous TiO2. <i>Physical Review B</i>. 2012;86(6). doi:<a href="https://doi.org/10.1103/physrevb.86.064201">10.1103/physrevb.86.064201</a>
  apa: Landmann, M., Köhler, T., Köppen, S., Rauls, E., Frauenheim, T., &#38; Schmidt,
    W. G. (2012). Fingerprints of order and disorder in the electronic and optical
    properties of crystalline and amorphous TiO2. <i>Physical Review B</i>, <i>86</i>(6).
    <a href="https://doi.org/10.1103/physrevb.86.064201">https://doi.org/10.1103/physrevb.86.064201</a>
  bibtex: '@article{Landmann_Köhler_Köppen_Rauls_Frauenheim_Schmidt_2012, title={Fingerprints
    of order and disorder in the electronic and optical properties of crystalline
    and amorphous TiO2}, volume={86}, DOI={<a href="https://doi.org/10.1103/physrevb.86.064201">10.1103/physrevb.86.064201</a>},
    number={6}, journal={Physical Review B}, author={Landmann, M. and Köhler, T. and
    Köppen, S. and Rauls, E. and Frauenheim, T. and Schmidt, Wolf Gero}, year={2012}
    }'
  chicago: Landmann, M., T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and Wolf Gero
    Schmidt. “Fingerprints of Order and Disorder in the Electronic and Optical Properties
    of Crystalline and Amorphous TiO2.” <i>Physical Review B</i> 86, no. 6 (2012).
    <a href="https://doi.org/10.1103/physrevb.86.064201">https://doi.org/10.1103/physrevb.86.064201</a>.
  ieee: 'M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and W. G. Schmidt,
    “Fingerprints of order and disorder in the electronic and optical properties of
    crystalline and amorphous TiO2,” <i>Physical Review B</i>, vol. 86, no. 6, 2012,
    doi: <a href="https://doi.org/10.1103/physrevb.86.064201">10.1103/physrevb.86.064201</a>.'
  mla: Landmann, M., et al. “Fingerprints of Order and Disorder in the Electronic
    and Optical Properties of Crystalline and Amorphous TiO2.” <i>Physical Review
    B</i>, vol. 86, no. 6, 2012, doi:<a href="https://doi.org/10.1103/physrevb.86.064201">10.1103/physrevb.86.064201</a>.
  short: M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, W.G. Schmidt,
    Physical Review B 86 (2012).
date_created: 2019-09-30T14:44:41Z
date_updated: 2025-12-05T10:46:28Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.86.064201
intvolume: '        86'
issue: '6'
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: Fingerprints of order and disorder in the electronic and optical properties
  of crystalline and amorphous TiO2
type: journal_article
user_id: '16199'
volume: 86
year: '2012'
...
---
_id: '13531'
author:
- first_name: Christian
  full_name: Schmidt, Christian
  last_name: Schmidt
- first_name: Tobias
  full_name: Breuer, Tobias
  last_name: Breuer
- first_name: Stefan
  full_name: Wippermann, Stefan
  last_name: Wippermann
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Gregor
  full_name: Witte, Gregor
  last_name: Witte
citation:
  ama: Schmidt C, Breuer T, Wippermann S, Schmidt WG, Witte G. Substrate Induced Thermal
    Decomposition of Perfluoro-Pentacene Thin Films on the Coinage Metals. <i>The
    Journal of Physical Chemistry C</i>. 2012;116:24098-24106. doi:<a href="https://doi.org/10.1021/jp307316r">10.1021/jp307316r</a>
  apa: Schmidt, C., Breuer, T., Wippermann, S., Schmidt, W. G., &#38; Witte, G. (2012).
    Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the
    Coinage Metals. <i>The Journal of Physical Chemistry C</i>, <i>116</i>, 24098–24106.
    <a href="https://doi.org/10.1021/jp307316r">https://doi.org/10.1021/jp307316r</a>
  bibtex: '@article{Schmidt_Breuer_Wippermann_Schmidt_Witte_2012, title={Substrate
    Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage
    Metals}, volume={116}, DOI={<a href="https://doi.org/10.1021/jp307316r">10.1021/jp307316r</a>},
    journal={The Journal of Physical Chemistry C}, author={Schmidt, Christian and
    Breuer, Tobias and Wippermann, Stefan and Schmidt, Wolf Gero and Witte, Gregor},
    year={2012}, pages={24098–24106} }'
  chicago: 'Schmidt, Christian, Tobias Breuer, Stefan Wippermann, Wolf Gero Schmidt,
    and Gregor Witte. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene
    Thin Films on the Coinage Metals.” <i>The Journal of Physical Chemistry C</i>
    116 (2012): 24098–106. <a href="https://doi.org/10.1021/jp307316r">https://doi.org/10.1021/jp307316r</a>.'
  ieee: 'C. Schmidt, T. Breuer, S. Wippermann, W. G. Schmidt, and G. Witte, “Substrate
    Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on the Coinage
    Metals,” <i>The Journal of Physical Chemistry C</i>, vol. 116, pp. 24098–24106,
    2012, doi: <a href="https://doi.org/10.1021/jp307316r">10.1021/jp307316r</a>.'
  mla: Schmidt, Christian, et al. “Substrate Induced Thermal Decomposition of Perfluoro-Pentacene
    Thin Films on the Coinage Metals.” <i>The Journal of Physical Chemistry C</i>,
    vol. 116, 2012, pp. 24098–106, doi:<a href="https://doi.org/10.1021/jp307316r">10.1021/jp307316r</a>.
  short: C. Schmidt, T. Breuer, S. Wippermann, W.G. Schmidt, G. Witte, The Journal
    of Physical Chemistry C 116 (2012) 24098–24106.
date_created: 2019-09-30T14:24:41Z
date_updated: 2025-12-05T10:48:55Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/jp307316r
intvolume: '       116'
language:
- iso: eng
page: 24098-24106
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: Substrate Induced Thermal Decomposition of Perfluoro-Pentacene Thin Films on
  the Coinage Metals
type: journal_article
user_id: '16199'
volume: 116
year: '2012'
...
---
_id: '13535'
author:
- 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: 'Sanna S, Schmidt WG. Ferroelectric phase transition in LiNbO3: Insights from
    molecular dynamics. <i>IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency
    Control</i>. 2012;59(9):1925-1928. doi:<a href="https://doi.org/10.1109/tuffc.2012.2408">10.1109/tuffc.2012.2408</a>'
  apa: 'Sanna, S., &#38; Schmidt, W. G. (2012). Ferroelectric phase transition in
    LiNbO3: Insights from molecular dynamics. <i>IEEE Transactions on Ultrasonics,
    Ferroelectrics and Frequency Control</i>, <i>59</i>(9), 1925–1928. <a href="https://doi.org/10.1109/tuffc.2012.2408">https://doi.org/10.1109/tuffc.2012.2408</a>'
  bibtex: '@article{Sanna_Schmidt_2012, title={Ferroelectric phase transition in LiNbO3:
    Insights from molecular dynamics}, volume={59}, DOI={<a href="https://doi.org/10.1109/tuffc.2012.2408">10.1109/tuffc.2012.2408</a>},
    number={9}, journal={IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency
    Control}, author={Sanna, S. and Schmidt, Wolf Gero}, year={2012}, pages={1925–1928}
    }'
  chicago: 'Sanna, S., and Wolf Gero Schmidt. “Ferroelectric Phase Transition in LiNbO3:
    Insights from Molecular Dynamics.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics
    and Frequency Control</i> 59, no. 9 (2012): 1925–28. <a href="https://doi.org/10.1109/tuffc.2012.2408">https://doi.org/10.1109/tuffc.2012.2408</a>.'
  ieee: 'S. Sanna and W. G. Schmidt, “Ferroelectric phase transition in LiNbO3: Insights
    from molecular dynamics,” <i>IEEE Transactions on Ultrasonics, Ferroelectrics
    and Frequency Control</i>, vol. 59, no. 9, pp. 1925–1928, 2012, doi: <a href="https://doi.org/10.1109/tuffc.2012.2408">10.1109/tuffc.2012.2408</a>.'
  mla: 'Sanna, S., and Wolf Gero Schmidt. “Ferroelectric Phase Transition in LiNbO3:
    Insights from Molecular Dynamics.” <i>IEEE Transactions on Ultrasonics, Ferroelectrics
    and Frequency Control</i>, vol. 59, no. 9, 2012, pp. 1925–28, doi:<a href="https://doi.org/10.1109/tuffc.2012.2408">10.1109/tuffc.2012.2408</a>.'
  short: S. Sanna, W.G. Schmidt, IEEE Transactions on Ultrasonics, Ferroelectrics
    and Frequency Control 59 (2012) 1925–1928.
date_created: 2019-09-30T14:32:33Z
date_updated: 2025-12-05T10:47:57Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1109/tuffc.2012.2408
intvolume: '        59'
issue: '9'
language:
- iso: eng
page: 1925-1928
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: IEEE Transactions on Ultrasonics, Ferroelectrics and Frequency Control
publication_identifier:
  issn:
  - 0885-3010
publication_status: published
status: public
title: 'Ferroelectric phase transition in LiNbO3: Insights from molecular dynamics'
type: journal_article
user_id: '16199'
volume: 59
year: '2012'
...
---
_id: '13538'
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. Polarization-dependent methanol adsorption on
    lithium niobate Z-cut surfaces. <i>Physical Review B</i>. 2012;86(12). doi:<a
    href="https://doi.org/10.1103/physrevb.86.125410">10.1103/physrevb.86.125410</a>
  apa: Riefer, A., Sanna, S., &#38; Schmidt, W. G. (2012). Polarization-dependent
    methanol adsorption on lithium niobate Z-cut surfaces. <i>Physical Review B</i>,
    <i>86</i>(12). <a href="https://doi.org/10.1103/physrevb.86.125410">https://doi.org/10.1103/physrevb.86.125410</a>
  bibtex: '@article{Riefer_Sanna_Schmidt_2012, title={Polarization-dependent methanol
    adsorption on lithium niobate Z-cut surfaces}, volume={86}, DOI={<a href="https://doi.org/10.1103/physrevb.86.125410">10.1103/physrevb.86.125410</a>},
    number={12}, journal={Physical Review B}, author={Riefer, A. and Sanna, S. and
    Schmidt, Wolf Gero}, year={2012} }'
  chicago: Riefer, A., S. Sanna, and Wolf Gero Schmidt. “Polarization-Dependent Methanol
    Adsorption on Lithium Niobate Z-Cut Surfaces.” <i>Physical Review B</i> 86, no.
    12 (2012). <a href="https://doi.org/10.1103/physrevb.86.125410">https://doi.org/10.1103/physrevb.86.125410</a>.
  ieee: 'A. Riefer, S. Sanna, and W. G. Schmidt, “Polarization-dependent methanol
    adsorption on lithium niobate Z-cut surfaces,” <i>Physical Review B</i>, vol.
    86, no. 12, 2012, doi: <a href="https://doi.org/10.1103/physrevb.86.125410">10.1103/physrevb.86.125410</a>.'
  mla: Riefer, A., et al. “Polarization-Dependent Methanol Adsorption on Lithium Niobate
    Z-Cut Surfaces.” <i>Physical Review B</i>, vol. 86, no. 12, 2012, doi:<a href="https://doi.org/10.1103/physrevb.86.125410">10.1103/physrevb.86.125410</a>.
  short: A. Riefer, S. Sanna, W.G. Schmidt, Physical Review B 86 (2012).
date_created: 2019-09-30T14:40:30Z
date_updated: 2025-12-05T10:47:16Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.86.125410
intvolume: '        86'
issue: '12'
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: Polarization-dependent methanol adsorption on lithium niobate Z-cut surfaces
type: journal_article
user_id: '16199'
volume: 86
year: '2012'
...
---
_id: '62927'
abstract:
- lang: eng
  text: <jats:p>To model intermolecular excitation transfer between organic chromophores
    in the framework of Förster theory, the interaction matrix element is needed for
    all relative orientations and separations of chromophores. Simulations of extended
    multi-chromophoric systems thus require a fast but reliable approximation scheme
    to calculate these dipole interactions. By means of a comparative study of the
    dipole approximation with quantum chemistry, we demonstrate that the usual line-dipole
    theory, while suitable for short molecules, breaks down for longer molecules with
    inter-molecular separations similar to or smaller than the length of the interacting
    chromophores; a limit that is typically found in conjugated polymer thin films.
    As a remedy, we propose an improved way of distributing the sub-dipole moments
    within a line which provides results in very good agreement with the quantum chemistry,
    and is still simple enough to be used in large scale simulations.</jats:p>
article_number: '224102'
author:
- first_name: Jean-Christophe
  full_name: Denis, Jean-Christophe
  last_name: Denis
- 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
citation:
  ama: Denis J-C, Schumacher S, Galbraith I. Quantitative description of interactions
    between linear organic chromophores. <i>The Journal of Chemical Physics</i>. 2012;137(22).
    doi:<a href="https://doi.org/10.1063/1.4768244">10.1063/1.4768244</a>
  apa: Denis, J.-C., Schumacher, S., &#38; Galbraith, I. (2012). Quantitative description
    of interactions between linear organic chromophores. <i>The Journal of Chemical
    Physics</i>, <i>137</i>(22), Article 224102. <a href="https://doi.org/10.1063/1.4768244">https://doi.org/10.1063/1.4768244</a>
  bibtex: '@article{Denis_Schumacher_Galbraith_2012, title={Quantitative description
    of interactions between linear organic chromophores}, volume={137}, DOI={<a href="https://doi.org/10.1063/1.4768244">10.1063/1.4768244</a>},
    number={22224102}, journal={The Journal of Chemical Physics}, publisher={AIP Publishing},
    author={Denis, Jean-Christophe and Schumacher, Stefan and Galbraith, Ian}, year={2012}
    }'
  chicago: Denis, Jean-Christophe, Stefan Schumacher, and Ian Galbraith. “Quantitative
    Description of Interactions between Linear Organic Chromophores.” <i>The Journal
    of Chemical Physics</i> 137, no. 22 (2012). <a href="https://doi.org/10.1063/1.4768244">https://doi.org/10.1063/1.4768244</a>.
  ieee: 'J.-C. Denis, S. Schumacher, and I. Galbraith, “Quantitative description of
    interactions between linear organic chromophores,” <i>The Journal of Chemical
    Physics</i>, vol. 137, no. 22, Art. no. 224102, 2012, doi: <a href="https://doi.org/10.1063/1.4768244">10.1063/1.4768244</a>.'
  mla: Denis, Jean-Christophe, et al. “Quantitative Description of Interactions between
    Linear Organic Chromophores.” <i>The Journal of Chemical Physics</i>, vol. 137,
    no. 22, 224102, AIP Publishing, 2012, doi:<a href="https://doi.org/10.1063/1.4768244">10.1063/1.4768244</a>.
  short: J.-C. Denis, S. Schumacher, I. Galbraith, The Journal of Chemical Physics
    137 (2012).
date_created: 2025-12-05T14:58:30Z
date_updated: 2025-12-05T14:59:12Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
doi: 10.1063/1.4768244
intvolume: '       137'
issue: '22'
language:
- iso: eng
publication: The Journal of Chemical Physics
publication_identifier:
  issn:
  - 0021-9606
  - 1089-7690
publication_status: published
publisher: AIP Publishing
status: public
title: Quantitative description of interactions between linear organic chromophores
type: journal_article
user_id: '16199'
volume: 137
year: '2012'
...
---
_id: '15869'
author:
- first_name: Christian
  full_name: Wiebeler, Christian
  last_name: Wiebeler
- first_name: Raphael
  full_name: Tautz, Raphael
  last_name: Tautz
- first_name: Jochen
  full_name: Feldmann, Jochen
  last_name: Feldmann
- first_name: Elizabeth
  full_name: von Hauff, Elizabeth
  last_name: von Hauff
- first_name: Enrico
  full_name: Da Como, Enrico
  last_name: Da Como
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
citation:
  ama: Wiebeler C, Tautz R, Feldmann J, von Hauff E, Da Como E, Schumacher S. Spectral
    Signatures of Polarons in Conjugated Co-polymers. <i>The Journal of Physical Chemistry
    B</i>. Published online 2012:4454-4460. doi:<a href="https://doi.org/10.1021/jp3084869">10.1021/jp3084869</a>
  apa: Wiebeler, C., Tautz, R., Feldmann, J., von Hauff, E., Da Como, E., &#38; Schumacher,
    S. (2012). Spectral Signatures of Polarons in Conjugated Co-polymers. <i>The Journal
    of Physical Chemistry B</i>, 4454–4460. <a href="https://doi.org/10.1021/jp3084869">https://doi.org/10.1021/jp3084869</a>
  bibtex: '@article{Wiebeler_Tautz_Feldmann_von Hauff_Da Como_Schumacher_2012, title={Spectral
    Signatures of Polarons in Conjugated Co-polymers}, DOI={<a href="https://doi.org/10.1021/jp3084869">10.1021/jp3084869</a>},
    journal={The Journal of Physical Chemistry B}, author={Wiebeler, Christian and
    Tautz, Raphael and Feldmann, Jochen and von Hauff, Elizabeth and Da Como, Enrico
    and Schumacher, Stefan}, year={2012}, pages={4454–4460} }'
  chicago: Wiebeler, Christian, Raphael Tautz, Jochen Feldmann, Elizabeth von Hauff,
    Enrico Da Como, and Stefan Schumacher. “Spectral Signatures of Polarons in Conjugated
    Co-Polymers.” <i>The Journal of Physical Chemistry B</i>, 2012, 4454–60. <a href="https://doi.org/10.1021/jp3084869">https://doi.org/10.1021/jp3084869</a>.
  ieee: 'C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, and S. Schumacher,
    “Spectral Signatures of Polarons in Conjugated Co-polymers,” <i>The Journal of
    Physical Chemistry B</i>, pp. 4454–4460, 2012, doi: <a href="https://doi.org/10.1021/jp3084869">10.1021/jp3084869</a>.'
  mla: Wiebeler, Christian, et al. “Spectral Signatures of Polarons in Conjugated
    Co-Polymers.” <i>The Journal of Physical Chemistry B</i>, 2012, pp. 4454–60, doi:<a
    href="https://doi.org/10.1021/jp3084869">10.1021/jp3084869</a>.
  short: C. Wiebeler, R. Tautz, J. Feldmann, E. von Hauff, E. Da Como, S. Schumacher,
    The Journal of Physical Chemistry B (2012) 4454–4460.
date_created: 2020-02-10T12:02:58Z
date_updated: 2025-12-05T14:56:05Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
doi: 10.1021/jp3084869
language:
- iso: eng
page: 4454-4460
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: Spectral Signatures of Polarons in Conjugated Co-polymers
type: journal_article
user_id: '16199'
year: '2012'
...
---
_id: '13820'
author:
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: S.
  full_name: Sanna, S.
  last_name: Sanna
- first_name: M.
  full_name: Babilon, M.
  last_name: Babilon
- first_name: N. J.
  full_name: Vollmers, N. J.
  last_name: Vollmers
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: 'Schmidt WG, Wippermann S, Sanna S, Babilon M, Vollmers NJ, Gerstmann U. In-Si(111)(4 × 1)/(8 × 2)
    nanowires: Electron transport, entropy, and metal-insulator transition. <i>physica
    status solidi (b)</i>. 2012;249(2):343-359. doi:<a href="https://doi.org/10.1002/pssb.201100457">10.1002/pssb.201100457</a>'
  apa: 'Schmidt, W. G., Wippermann, S., Sanna, S., Babilon, M., Vollmers, N. J., &#38;
    Gerstmann, U. (2012). In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport,
    entropy, and metal-insulator transition. <i>Physica Status Solidi (b)</i>, <i>249</i>(2),
    343–359. <a href="https://doi.org/10.1002/pssb.201100457">https://doi.org/10.1002/pssb.201100457</a>'
  bibtex: '@article{Schmidt_Wippermann_Sanna_Babilon_Vollmers_Gerstmann_2012, title={In-Si(111)(4 × 1)/(8 × 2)
    nanowires: Electron transport, entropy, and metal-insulator transition}, volume={249},
    DOI={<a href="https://doi.org/10.1002/pssb.201100457">10.1002/pssb.201100457</a>},
    number={2}, journal={physica status solidi (b)}, author={Schmidt, Wolf Gero and
    Wippermann, S. and Sanna, S. and Babilon, M. and Vollmers, N. J. and Gerstmann,
    Uwe}, year={2012}, pages={343–359} }'
  chicago: 'Schmidt, Wolf Gero, S. Wippermann, S. Sanna, M. Babilon, N. J. Vollmers,
    and Uwe Gerstmann. “In-Si(111)(4 × 1)/(8 × 2) Nanowires: Electron Transport, Entropy,
    and Metal-Insulator Transition.” <i>Physica Status Solidi (b)</i> 249, no. 2 (2012):
    343–59. <a href="https://doi.org/10.1002/pssb.201100457">https://doi.org/10.1002/pssb.201100457</a>.'
  ieee: 'W. G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N. J. Vollmers, and U.
    Gerstmann, “In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy,
    and metal-insulator transition,” <i>physica status solidi (b)</i>, vol. 249, no.
    2, pp. 343–359, 2012, doi: <a href="https://doi.org/10.1002/pssb.201100457">10.1002/pssb.201100457</a>.'
  mla: 'Schmidt, Wolf Gero, et al. “In-Si(111)(4 × 1)/(8 × 2) Nanowires: Electron
    Transport, Entropy, and Metal-Insulator Transition.” <i>Physica Status Solidi
    (b)</i>, vol. 249, no. 2, 2012, pp. 343–59, doi:<a href="https://doi.org/10.1002/pssb.201100457">10.1002/pssb.201100457</a>.'
  short: W.G. Schmidt, S. Wippermann, S. Sanna, M. Babilon, N.J. Vollmers, U. Gerstmann,
    Physica Status Solidi (b) 249 (2012) 343–359.
date_created: 2019-10-15T06:56:58Z
date_updated: 2025-12-16T07:52:26Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '790'
- _id: '230'
- _id: '27'
doi: 10.1002/pssb.201100457
funded_apc: '1'
intvolume: '       249'
issue: '2'
language:
- iso: eng
page: 343-359
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (b)
publication_identifier:
  issn:
  - 0370-1972
publication_status: published
status: public
title: 'In-Si(111)(4 × 1)/(8 × 2) nanowires: Electron transport, entropy, and metal-insulator
  transition'
type: journal_article
user_id: '16199'
volume: 249
year: '2012'
...
---
_id: '15872'
article_number: '9176'
author:
- first_name: Neil A.
  full_name: Montgomery, Neil A.
  last_name: Montgomery
- first_name: Gordon J.
  full_name: Hedley, Gordon J.
  last_name: Hedley
- first_name: Arvydas
  full_name: Ruseckas, Arvydas
  last_name: Ruseckas
- first_name: Jean-Christophe
  full_name: Denis, Jean-Christophe
  last_name: Denis
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
- first_name: Alexander L.
  full_name: Kanibolotsky, Alexander L.
  last_name: Kanibolotsky
- first_name: Peter J.
  full_name: Skabara, Peter J.
  last_name: Skabara
- first_name: Ian
  full_name: Galbraith, Ian
  last_name: Galbraith
- first_name: Graham A.
  full_name: Turnbull, Graham A.
  last_name: Turnbull
- first_name: Ifor D. W.
  full_name: Samuel, Ifor D. W.
  last_name: Samuel
citation:
  ama: Montgomery NA, Hedley GJ, Ruseckas A, et al. Dynamics of fluorescence depolarisation
    in star-shaped oligofluorene-truxene molecules. <i>Physical Chemistry Chemical
    Physics</i>. Published online 2012. doi:<a href="https://doi.org/10.1039/c2cp24141b">10.1039/c2cp24141b</a>
  apa: Montgomery, N. A., Hedley, G. J., Ruseckas, A., Denis, J.-C., Schumacher, S.,
    Kanibolotsky, A. L., Skabara, P. J., Galbraith, I., Turnbull, G. A., &#38; Samuel,
    I. D. W. (2012). Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene
    molecules. <i>Physical Chemistry Chemical Physics</i>, Article 9176. <a href="https://doi.org/10.1039/c2cp24141b">https://doi.org/10.1039/c2cp24141b</a>
  bibtex: '@article{Montgomery_Hedley_Ruseckas_Denis_Schumacher_Kanibolotsky_Skabara_Galbraith_Turnbull_Samuel_2012,
    title={Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene
    molecules}, DOI={<a href="https://doi.org/10.1039/c2cp24141b">10.1039/c2cp24141b</a>},
    number={9176}, journal={Physical Chemistry Chemical Physics}, author={Montgomery,
    Neil A. and Hedley, Gordon J. and Ruseckas, Arvydas and Denis, Jean-Christophe
    and Schumacher, Stefan and Kanibolotsky, Alexander L. and Skabara, Peter J. and
    Galbraith, Ian and Turnbull, Graham A. and Samuel, Ifor D. W.}, year={2012} }'
  chicago: Montgomery, Neil A., Gordon J. Hedley, Arvydas Ruseckas, Jean-Christophe
    Denis, Stefan Schumacher, Alexander L. Kanibolotsky, Peter J. Skabara, Ian Galbraith,
    Graham A. Turnbull, and Ifor D. W. Samuel. “Dynamics of Fluorescence Depolarisation
    in Star-Shaped Oligofluorene-Truxene Molecules.” <i>Physical Chemistry Chemical
    Physics</i>, 2012. <a href="https://doi.org/10.1039/c2cp24141b">https://doi.org/10.1039/c2cp24141b</a>.
  ieee: 'N. A. Montgomery <i>et al.</i>, “Dynamics of fluorescence depolarisation
    in star-shaped oligofluorene-truxene molecules,” <i>Physical Chemistry Chemical
    Physics</i>, Art. no. 9176, 2012, doi: <a href="https://doi.org/10.1039/c2cp24141b">10.1039/c2cp24141b</a>.'
  mla: Montgomery, Neil A., et al. “Dynamics of Fluorescence Depolarisation in Star-Shaped
    Oligofluorene-Truxene Molecules.” <i>Physical Chemistry Chemical Physics</i>,
    9176, 2012, doi:<a href="https://doi.org/10.1039/c2cp24141b">10.1039/c2cp24141b</a>.
  short: N.A. Montgomery, G.J. Hedley, A. Ruseckas, J.-C. Denis, S. Schumacher, A.L.
    Kanibolotsky, P.J. Skabara, I. Galbraith, G.A. Turnbull, I.D.W. Samuel, Physical
    Chemistry Chemical Physics (2012).
date_created: 2020-02-10T12:11:57Z
date_updated: 2025-12-16T08:03:17Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1039/c2cp24141b
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Chemistry Chemical Physics
publication_identifier:
  issn:
  - 1463-9076
  - 1463-9084
publication_status: published
status: public
title: Dynamics of fluorescence depolarisation in star-shaped oligofluorene-truxene
  molecules
type: journal_article
user_id: '16199'
year: '2012'
...
---
_id: '18542'
abstract:
- lang: eng
  text: 'We present recent advances in numerical implementations of hybrid functionals
    and the GW approximation within the full-potential linearized augmented-plane-wave
    (FLAPW) method. The former is an approximation for the exchange–correlation contribution
    to the total energy functional in density-functional theory, and the latter is
    an approximation for the electronic self-energy in the framework of many-body
    perturbation theory. All implementations employ the mixed product basis, which
    has evolved into a versatile basis for the products of wave functions, describing
    the incoming and outgoing states of an electron that is scattered by interacting
    with another electron. It can thus be used for representing the nonlocal potential
    in hybrid functionals as well as the screened interaction and related quantities
    in GW calculations. In particular, the six-dimensional space integrals of the
    Hamiltonian exchange matrix elements (and exchange self-energy) decompose into
    sums over vector–matrix–vector products, which can be evaluated easily. The correlation
    part of the GW self-energy, which contains a time or frequency dependence, is
    calculated on the imaginary frequency axis with a subsequent analytic continuation
    to the real axis or, alternatively, by a direct frequency convolution of the Green
    function G and the dynamically screened Coulomb interaction W along a contour
    integration path that avoids the poles of the Green function. Hybrid-functional
    and GW calculations are notoriously computationally expensive. We present a number
    of tricks that reduce the computational cost considerably, including the use of
    spatial and time-reversal symmetries, modifications of the mixed product basis
    with the aim to optimize it for the correlation self-energy and another modification
    that makes the Coulomb matrix sparse, analytic expansions of the interaction potentials
    around the point of divergence at k=0, and a nested density and density-matrix
    convergence scheme for hybrid-functional calculations. We show CPU timings for
    prototype semiconductors and illustrative results for GdN and ZnO. '
article_number: '293201'
article_type: review
author:
- first_name: Christoph
  full_name: Friedrich, Christoph
  last_name: Friedrich
- first_name: Markus
  full_name: Betzinger, Markus
  last_name: Betzinger
- first_name: Martin
  full_name: Schlipf, Martin
  last_name: Schlipf
- first_name: Stefan
  full_name: Blügel, Stefan
  last_name: Blügel
- first_name: Arno
  full_name: Schindlmayr, Arno
  id: '458'
  last_name: Schindlmayr
  orcid: 0000-0002-4855-071X
citation:
  ama: 'Friedrich C, Betzinger M, Schlipf M, Blügel S, Schindlmayr A. Hybrid functionals
    and GW approximation in the FLAPW method. <i>Journal of Physics: Condensed Matter</i>.
    2012;24(29). doi:<a href="https://doi.org/10.1088/0953-8984/24/29/293201">10.1088/0953-8984/24/29/293201</a>'
  apa: 'Friedrich, C., Betzinger, M., Schlipf, M., Blügel, S., &#38; Schindlmayr,
    A. (2012). Hybrid functionals and GW approximation in the FLAPW method. <i>Journal
    of Physics: Condensed Matter</i>, <i>24</i>(29), Article 293201. <a href="https://doi.org/10.1088/0953-8984/24/29/293201">https://doi.org/10.1088/0953-8984/24/29/293201</a>'
  bibtex: '@article{Friedrich_Betzinger_Schlipf_Blügel_Schindlmayr_2012, title={Hybrid
    functionals and GW approximation in the FLAPW method}, volume={24}, DOI={<a href="https://doi.org/10.1088/0953-8984/24/29/293201">10.1088/0953-8984/24/29/293201</a>},
    number={29293201}, journal={Journal of Physics: Condensed Matter}, publisher={IOP
    Publishing}, author={Friedrich, Christoph and Betzinger, Markus and Schlipf, Martin
    and Blügel, Stefan and Schindlmayr, Arno}, year={2012} }'
  chicago: 'Friedrich, Christoph, Markus Betzinger, Martin Schlipf, Stefan Blügel,
    and Arno Schindlmayr. “Hybrid Functionals and GW Approximation in the FLAPW Method.”
    <i>Journal of Physics: Condensed Matter</i> 24, no. 29 (2012). <a href="https://doi.org/10.1088/0953-8984/24/29/293201">https://doi.org/10.1088/0953-8984/24/29/293201</a>.'
  ieee: 'C. Friedrich, M. Betzinger, M. Schlipf, S. Blügel, and A. Schindlmayr, “Hybrid
    functionals and GW approximation in the FLAPW method,” <i>Journal of Physics:
    Condensed Matter</i>, vol. 24, no. 29, Art. no. 293201, 2012, doi: <a href="https://doi.org/10.1088/0953-8984/24/29/293201">10.1088/0953-8984/24/29/293201</a>.'
  mla: 'Friedrich, Christoph, et al. “Hybrid Functionals and GW Approximation in the
    FLAPW Method.” <i>Journal of Physics: Condensed Matter</i>, vol. 24, no. 29, 293201,
    IOP Publishing, 2012, doi:<a href="https://doi.org/10.1088/0953-8984/24/29/293201">10.1088/0953-8984/24/29/293201</a>.'
  short: 'C. Friedrich, M. Betzinger, M. Schlipf, S. Blügel, A. Schindlmayr, Journal
    of Physics: Condensed Matter 24 (2012).'
date_created: 2020-08-28T10:14:44Z
date_updated: 2025-12-16T08:09:33Z
ddc:
- '530'
department:
- _id: '296'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '230'
doi: 10.1088/0953-8984/24/29/293201
external_id:
  isi:
  - '000306270700001'
  pmid:
  - '22773268'
file:
- access_level: closed
  content_type: application/pdf
  creator: schindlm
  date_created: 2020-08-28T14:30:29Z
  date_updated: 2020-08-30T15:00:14Z
  description: © 2012 IOP Publishing Ltd
  file_id: '18580'
  file_name: Friedrich_2012_J._Phys. _Condens._Matter_24_293201.pdf
  file_size: 1059896
  relation: main_file
  title: Hybrid functionals and GW approximation in the FLAPW method
file_date_updated: 2020-08-30T15:00:14Z
has_accepted_license: '1'
intvolume: '        24'
isi: '1'
issue: '29'
language:
- iso: eng
pmid: '1'
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
  eissn:
  - 1361-648X
  issn:
  - 0953-8984
publication_status: published
publisher: IOP Publishing
quality_controlled: '1'
status: public
title: Hybrid functionals and GW approximation in the FLAPW method
type: journal_article
user_id: '16199'
volume: 24
year: '2012'
...
---
_id: '4104'
abstract:
- lang: eng
  text: We report on the molecular beam epitaxy growth of cubic GaN on 3C–SiC (001)
    nanostructures. Transmission electron microscopy (TEM) studies show phase-pure
    cubic GaN crystals with a low defect density on top of the post shaped 3C–SiC
    nanostructures and GaN grown on their sidewalls, which is dominated by {111} planar
    defects. The nanostructures, aligned parallel and perpendicular to the [110] directions
    of the substrate, are located in anti-phase domains of the 3C–SiC/Si (001) substrate.
    These anti-phase domains strongly influence the optimum growth of GaN layers in
    these regions. TEM measurements demonstrate a different stacking fault density
    in the cubic GaN epilayer in these areas.
article_type: original
author:
- first_name: R.M.
  full_name: Kemper, R.M.
  last_name: Kemper
- first_name: L.
  full_name: Hiller, L.
  last_name: Hiller
- first_name: T.
  full_name: Stauden, T.
  last_name: Stauden
- first_name: J.
  full_name: Pezoldt, J.
  last_name: Pezoldt
- first_name: K.
  full_name: Duschik, K.
  last_name: Duschik
- first_name: T.
  full_name: Niendorf, T.
  last_name: Niendorf
- first_name: H.J.
  full_name: Maier, H.J.
  last_name: Maier
- first_name: D.
  full_name: Meertens, D.
  last_name: Meertens
- first_name: K.
  full_name: Tillmann, K.
  last_name: Tillmann
- first_name: D.J.
  full_name: As, D.J.
  last_name: As
- first_name: Jörg
  full_name: Lindner, Jörg
  id: '20797'
  last_name: Lindner
citation:
  ama: Kemper RM, Hiller L, Stauden T, et al. Growth of cubic GaN on 3C–SiC/Si (001)
    nanostructures. <i>Journal of Crystal Growth</i>. 2012;378:291-294. doi:<a href="https://doi.org/10.1016/j.jcrysgro.2012.10.011">10.1016/j.jcrysgro.2012.10.011</a>
  apa: Kemper, R. M., Hiller, L., Stauden, T., Pezoldt, J., Duschik, K., Niendorf,
    T., Maier, H. J., Meertens, D., Tillmann, K., As, D. J., &#38; Lindner, J. (2012).
    Growth of cubic GaN on 3C–SiC/Si (001) nanostructures. <i>Journal of Crystal Growth</i>,
    <i>378</i>, 291–294. <a href="https://doi.org/10.1016/j.jcrysgro.2012.10.011">https://doi.org/10.1016/j.jcrysgro.2012.10.011</a>
  bibtex: '@article{Kemper_Hiller_Stauden_Pezoldt_Duschik_Niendorf_Maier_Meertens_Tillmann_As_et
    al._2012, title={Growth of cubic GaN on 3C–SiC/Si (001) nanostructures}, volume={378},
    DOI={<a href="https://doi.org/10.1016/j.jcrysgro.2012.10.011">10.1016/j.jcrysgro.2012.10.011</a>},
    journal={Journal of Crystal Growth}, publisher={Elsevier BV}, author={Kemper,
    R.M. and Hiller, L. and Stauden, T. and Pezoldt, J. and Duschik, K. and Niendorf,
    T. and Maier, H.J. and Meertens, D. and Tillmann, K. and As, D.J. and et al.},
    year={2012}, pages={291–294} }'
  chicago: 'Kemper, R.M., L. Hiller, T. Stauden, J. Pezoldt, K. Duschik, T. Niendorf,
    H.J. Maier, et al. “Growth of Cubic GaN on 3C–SiC/Si (001) Nanostructures.” <i>Journal
    of Crystal Growth</i> 378 (2012): 291–94. <a href="https://doi.org/10.1016/j.jcrysgro.2012.10.011">https://doi.org/10.1016/j.jcrysgro.2012.10.011</a>.'
  ieee: 'R. M. Kemper <i>et al.</i>, “Growth of cubic GaN on 3C–SiC/Si (001) nanostructures,”
    <i>Journal of Crystal Growth</i>, vol. 378, pp. 291–294, 2012, doi: <a href="https://doi.org/10.1016/j.jcrysgro.2012.10.011">10.1016/j.jcrysgro.2012.10.011</a>.'
  mla: Kemper, R. M., et al. “Growth of Cubic GaN on 3C–SiC/Si (001) Nanostructures.”
    <i>Journal of Crystal Growth</i>, vol. 378, Elsevier BV, 2012, pp. 291–94, doi:<a
    href="https://doi.org/10.1016/j.jcrysgro.2012.10.011">10.1016/j.jcrysgro.2012.10.011</a>.
  short: R.M. Kemper, L. Hiller, T. Stauden, J. Pezoldt, K. Duschik, T. Niendorf,
    H.J. Maier, D. Meertens, K. Tillmann, D.J. As, J. Lindner, Journal of Crystal
    Growth 378 (2012) 291–294.
conference:
  location: Nara (Japan)
  name: 17th Int. Conference on MBE 2012
date_created: 2018-08-23T12:59:44Z
date_updated: 2025-12-16T08:12:58Z
ddc:
- '530'
department:
- _id: '15'
- _id: '286'
- _id: '35'
- _id: '230'
doi: 10.1016/j.jcrysgro.2012.10.011
file:
- access_level: closed
  content_type: application/pdf
  creator: hclaudia
  date_created: 2018-08-23T13:01:13Z
  date_updated: 2018-08-23T13:01:13Z
  file_id: '4105'
  file_name: Growth of cubic GaN on 3C-SiC-Si 001 nanostructures.pdf
  file_size: 3716730
  relation: main_file
  success: 1
file_date_updated: 2018-08-23T13:01:13Z
has_accepted_license: '1'
intvolume: '       378'
language:
- iso: eng
page: 291-294
publication: Journal of Crystal Growth
publication_identifier:
  issn:
  - 0022-0248
publication_status: published
publisher: Elsevier BV
status: public
title: Growth of cubic GaN on 3C–SiC/Si (001) nanostructures
type: journal_article
user_id: '16199'
volume: 378
year: '2012'
...
---
_id: '3974'
abstract:
- lang: eng
  text: We study the quantum properties and statistics of photons emitted by a quantum-dot
    biexciton inside a cavity. In the biexciton-exciton cascade, fine-structure splitting
    between exciton levels degrades polarization-entanglement for the emitted pair
    of photons. However, here we show that the polarization-entanglement can be preserved
    in such a system through simultaneous emission of two degenerate photons into
    cavity modes tuned to half the biexciton energy. Based on detailed theoretical
    calculations for realistic quantum-dot and cavity parameters, we quantify the
    degree of achievable entanglement.
article_type: original
author:
- first_name: Stefan
  full_name: Schumacher, Stefan
  id: '27271'
  last_name: Schumacher
  orcid: 0000-0003-4042-4951
- first_name: Jens
  full_name: Förstner, Jens
  id: '158'
  last_name: Förstner
  orcid: 0000-0001-7059-9862
- first_name: Artur
  full_name: Zrenner, Artur
  id: '606'
  last_name: Zrenner
  orcid: 0000-0002-5190-0944
- first_name: Matthias
  full_name: Florian, Matthias
  last_name: Florian
- first_name: Christopher
  full_name: Gies, Christopher
  last_name: Gies
- first_name: Paul
  full_name: Gartner, Paul
  last_name: Gartner
- first_name: Frank
  full_name: Jahnke, Frank
  last_name: Jahnke
citation:
  ama: Schumacher S, Förstner J, Zrenner A, et al. Cavity-assisted emission of polarization-entangled
    photons from biexcitons in quantum dots with fine-structure splitting. <i>Optics
    Express</i>. 2012;20(5):5335-5342. doi:<a href="https://doi.org/10.1364/oe.20.005335">10.1364/oe.20.005335</a>
  apa: Schumacher, S., Förstner, J., Zrenner, A., Florian, M., Gies, C., Gartner,
    P., &#38; Jahnke, F. (2012). Cavity-assisted emission of polarization-entangled
    photons from biexcitons in quantum dots with fine-structure splitting. <i>Optics
    Express</i>, <i>20</i>(5), 5335–5342. <a href="https://doi.org/10.1364/oe.20.005335">https://doi.org/10.1364/oe.20.005335</a>
  bibtex: '@article{Schumacher_Förstner_Zrenner_Florian_Gies_Gartner_Jahnke_2012,
    title={Cavity-assisted emission of polarization-entangled photons from biexcitons
    in quantum dots with fine-structure splitting}, volume={20}, DOI={<a href="https://doi.org/10.1364/oe.20.005335">10.1364/oe.20.005335</a>},
    number={5}, journal={Optics Express}, publisher={OSA}, author={Schumacher, Stefan
    and Förstner, Jens and Zrenner, Artur and Florian, Matthias and Gies, Christopher
    and Gartner, Paul and Jahnke, Frank}, year={2012}, pages={5335–5342} }'
  chicago: 'Schumacher, Stefan, Jens Förstner, Artur Zrenner, Matthias Florian, Christopher
    Gies, Paul Gartner, and Frank Jahnke. “Cavity-Assisted Emission of Polarization-Entangled
    Photons from Biexcitons in Quantum Dots with Fine-Structure Splitting.” <i>Optics
    Express</i> 20, no. 5 (2012): 5335–42. <a href="https://doi.org/10.1364/oe.20.005335">https://doi.org/10.1364/oe.20.005335</a>.'
  ieee: 'S. Schumacher <i>et al.</i>, “Cavity-assisted emission of polarization-entangled
    photons from biexcitons in quantum dots with fine-structure splitting,” <i>Optics
    Express</i>, vol. 20, no. 5, pp. 5335–5342, 2012, doi: <a href="https://doi.org/10.1364/oe.20.005335">10.1364/oe.20.005335</a>.'
  mla: Schumacher, Stefan, et al. “Cavity-Assisted Emission of Polarization-Entangled
    Photons from Biexcitons in Quantum Dots with Fine-Structure Splitting.” <i>Optics
    Express</i>, vol. 20, no. 5, OSA, 2012, pp. 5335–42, doi:<a href="https://doi.org/10.1364/oe.20.005335">10.1364/oe.20.005335</a>.
  short: S. Schumacher, J. Förstner, A. Zrenner, M. Florian, C. Gies, P. Gartner,
    F. Jahnke, Optics Express 20 (2012) 5335–5342.
date_created: 2018-08-21T09:03:31Z
date_updated: 2025-12-16T11:12:04Z
ddc:
- '530'
department:
- _id: '15'
- _id: '290'
- _id: '230'
- _id: '297'
- _id: '35'
- _id: '170'
- _id: '34'
- _id: '61'
- _id: '27'
doi: 10.1364/oe.20.005335
file:
- access_level: open_access
  content_type: application/pdf
  creator: hclaudia
  date_created: 2018-08-21T09:05:01Z
  date_updated: 2018-09-04T19:10:02Z
  file_id: '3975'
  file_name: 2012 Schumacher,Förstner,Zrenner,Florian,Gies,Gartner,Jahnke_Cavity assisted
    emission of polarization-entangled photons.pdf
  file_size: 751384
  relation: main_file
file_date_updated: 2018-09-04T19:10:02Z
has_accepted_license: '1'
intvolume: '        20'
issue: '5'
keyword:
- tet_topic_qd
language:
- iso: eng
oa: '1'
page: 5335-5342
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Optics Express
publication_identifier:
  issn:
  - 1094-4087
publication_status: published
publisher: OSA
status: public
title: Cavity-assisted emission of polarization-entangled photons from biexcitons
  in quantum dots with fine-structure splitting
type: journal_article
urn: '39744'
user_id: '16199'
volume: 20
year: '2012'
...
---
_id: '40405'
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. Dynamics of ionisation and entanglement in the “atom
    + quantum electromagnetic field” system. <i>Quantum Electronics</i>. 2012;42(3):199-207.
    doi:<a href="https://doi.org/10.1070/qe2012v042n03abeh014805">10.1070/qe2012v042n03abeh014805</a>
  apa: Sharapova, P., &#38; Tikhonova, O. V. (2012). Dynamics of ionisation and entanglement
    in the “atom + quantum electromagnetic field” system. <i>Quantum Electronics</i>,
    <i>42</i>(3), 199–207. <a href="https://doi.org/10.1070/qe2012v042n03abeh014805">https://doi.org/10.1070/qe2012v042n03abeh014805</a>
  bibtex: '@article{Sharapova_Tikhonova_2012, title={Dynamics of ionisation and entanglement
    in the “atom + quantum electromagnetic field” system}, volume={42}, DOI={<a href="https://doi.org/10.1070/qe2012v042n03abeh014805">10.1070/qe2012v042n03abeh014805</a>},
    number={3}, journal={Quantum Electronics}, publisher={IOP Publishing}, author={Sharapova,
    Polina and Tikhonova, O V}, year={2012}, pages={199–207} }'
  chicago: 'Sharapova, Polina, and O V Tikhonova. “Dynamics of Ionisation and Entanglement
    in the ‘atom + Quantum Electromagnetic Field’ System.” <i>Quantum Electronics</i>
    42, no. 3 (2012): 199–207. <a href="https://doi.org/10.1070/qe2012v042n03abeh014805">https://doi.org/10.1070/qe2012v042n03abeh014805</a>.'
  ieee: 'P. Sharapova and O. V. Tikhonova, “Dynamics of ionisation and entanglement
    in the ‘atom + quantum electromagnetic field’ system,” <i>Quantum Electronics</i>,
    vol. 42, no. 3, pp. 199–207, 2012, doi: <a href="https://doi.org/10.1070/qe2012v042n03abeh014805">10.1070/qe2012v042n03abeh014805</a>.'
  mla: Sharapova, Polina, and O. V. Tikhonova. “Dynamics of Ionisation and Entanglement
    in the ‘atom + Quantum Electromagnetic Field’ System.” <i>Quantum Electronics</i>,
    vol. 42, no. 3, IOP Publishing, 2012, pp. 199–207, doi:<a href="https://doi.org/10.1070/qe2012v042n03abeh014805">10.1070/qe2012v042n03abeh014805</a>.
  short: P. Sharapova, O.V. Tikhonova, Quantum Electronics 42 (2012) 199–207.
date_created: 2023-01-26T14:33:02Z
date_updated: 2025-12-16T11:15:59Z
department:
- _id: '15'
- _id: '569'
- _id: '170'
- _id: '35'
- _id: '230'
doi: 10.1070/qe2012v042n03abeh014805
intvolume: '        42'
issue: '3'
keyword:
- Electrical and Electronic Engineering
- Atomic and Molecular Physics
- and Optics
- Statistical and Nonlinear Physics
- Electronic
- Optical and Magnetic Materials
language:
- iso: eng
page: 199-207
publication: Quantum Electronics
publication_identifier:
  issn:
  - 1063-7818
  - 1468-4799
publication_status: published
publisher: IOP Publishing
status: public
title: Dynamics of ionisation and entanglement in the 'atom + quantum electromagnetic
  field' system
type: journal_article
user_id: '16199'
volume: 42
year: '2012'
...
---
_id: '3965'
abstract:
- lang: eng
  text: We design the geometrical shape of plasmonic nanostructures to achieve field
    patterns with desired properties. For this, we combine Maxwell simulations and
    automatic optimization techniques. By allowing variations of the geometrical shape,
    which can be based on either boxes or arbitrary polygons, we maximize the desired
    objective.
author:
- first_name: Andre
  full_name: Hildebrandt, Andre
  last_name: Hildebrandt
- first_name: Matthias
  full_name: Reichelt, Matthias
  id: '138'
  last_name: Reichelt
- 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: 'Hildebrandt A, Reichelt M, Meier T, Förstner J. Optimization of the intensity
    enhancement in plasmonic nanoantennas. In: AIP AIP Conference Proceedings 1475;
    2012. doi:<a href="https://doi.org/10.1063/1.4750095">10.1063/1.4750095</a>'
  apa: Hildebrandt, A., Reichelt, M., Meier, T., &#38; Förstner, J. (2012). <i>Optimization
    of the intensity enhancement in plasmonic nanoantennas</i>. <i>59</i>. <a href="https://doi.org/10.1063/1.4750095">https://doi.org/10.1063/1.4750095</a>
  bibtex: '@inproceedings{Hildebrandt_Reichelt_Meier_Förstner_2012, title={Optimization
    of the intensity enhancement in plasmonic nanoantennas}, DOI={<a href="https://doi.org/10.1063/1.4750095">10.1063/1.4750095</a>},
    number={59}, publisher={AIP AIP Conference Proceedings 1475}, author={Hildebrandt,
    Andre and Reichelt, Matthias and Meier, Torsten and Förstner, Jens}, year={2012}
    }'
  chicago: Hildebrandt, Andre, Matthias Reichelt, Torsten Meier, and Jens Förstner.
    “Optimization of the Intensity Enhancement in Plasmonic Nanoantennas.” AIP AIP
    Conference Proceedings 1475, 2012. <a href="https://doi.org/10.1063/1.4750095">https://doi.org/10.1063/1.4750095</a>.
  ieee: 'A. Hildebrandt, M. Reichelt, T. Meier, and J. Förstner, “Optimization of
    the intensity enhancement in plasmonic nanoantennas,” Bad Honnef, 2012, no. 59,
    doi: <a href="https://doi.org/10.1063/1.4750095">10.1063/1.4750095</a>.'
  mla: Hildebrandt, Andre, et al. <i>Optimization of the Intensity Enhancement in
    Plasmonic Nanoantennas</i>. no. 59, AIP AIP Conference Proceedings 1475, 2012,
    doi:<a href="https://doi.org/10.1063/1.4750095">10.1063/1.4750095</a>.
  short: 'A. Hildebrandt, M. Reichelt, T. Meier, J. Förstner, in: AIP AIP Conference
    Proceedings 1475, 2012.'
conference:
  location: Bad Honnef
  name: The Fith International Workshop 2012 (AIP conference Proceedings)
date_created: 2018-08-21T07:49:52Z
date_updated: 2025-12-16T11:20:08Z
ddc:
- '530'
department:
- _id: '15'
- _id: '230'
- _id: '170'
- _id: '61'
- _id: '230'
- _id: '35'
- _id: '34'
doi: 10.1063/1.4750095
file:
- access_level: closed
  content_type: application/pdf
  creator: hclaudia
  date_created: 2018-08-21T07:54:07Z
  date_updated: 2018-08-21T07:54:07Z
  file_id: '3966'
  file_name: 2012-11 Hildebrandt,Reichelt,Meier,Förstner_Optimization of the intensity
    enhancement in plasmonic nanoantennas.pdf
  file_size: 958277
  relation: main_file
  success: 1
file_date_updated: 2018-08-21T07:54:07Z
has_accepted_license: '1'
issue: '59'
keyword:
- tet_topic_optical antenna
- tet_topic_plasmonics
language:
- iso: eng
publication_status: published
publisher: AIP AIP Conference Proceedings 1475
status: public
title: Optimization of the intensity enhancement in plasmonic nanoantennas
type: conference
user_id: '16199'
year: '2012'
...