---
_id: '13579'
author:
- 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: Sanna S, Gavrilenko AV, Schmidt WG. Ab initioinvestigation of the LiNbO3(0001)
    surface. <i>physica status solidi (c)</i>. 2009;7(2):145-148. doi:<a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>
  apa: Sanna, S., Gavrilenko, A. V., &#38; Schmidt, W. G. (2009). Ab initioinvestigation
    of the LiNbO3(0001) surface. <i>Physica Status Solidi (c)</i>, <i>7</i>(2), 145–148.
    <a href="https://doi.org/10.1002/pssc.200982456">https://doi.org/10.1002/pssc.200982456</a>
  bibtex: '@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of
    the LiNbO3(0001) surface}, volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>},
    number={2}, journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko,
    Alexander V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }'
  chicago: 'Sanna, Simone, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Ab Initioinvestigation
    of the LiNbO3(0001) Surface.” <i>Physica Status Solidi (c)</i> 7, no. 2 (2009):
    145–48. <a href="https://doi.org/10.1002/pssc.200982456">https://doi.org/10.1002/pssc.200982456</a>.'
  ieee: 'S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Ab initioinvestigation of
    the LiNbO3(0001) surface,” <i>physica status solidi (c)</i>, vol. 7, no. 2, pp.
    145–148, 2009, doi: <a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>.'
  mla: Sanna, Simone, et al. “Ab Initioinvestigation of the LiNbO3(0001) Surface.”
    <i>Physica Status Solidi (c)</i>, vol. 7, no. 2, 2009, pp. 145–48, doi:<a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>.
  short: S. Sanna, A.V. Gavrilenko, W.G. Schmidt, Physica Status Solidi (c) 7 (2009)
    145–148.
date_created: 2019-10-01T14:31:26Z
date_updated: 2025-12-05T10:52:38Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200982456
intvolume: '         7'
issue: '2'
language:
- iso: eng
page: 145-148
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: Ab initioinvestigation of the LiNbO3(0001) surface
type: journal_article
user_id: '16199'
volume: 7
year: '2009'
...
---
_id: '13577'
author:
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Blankenburg S, Rauls E, Schmidt WG. The physics of highly ordered molecular
    rows. <i>physica status solidi (c)</i>. 2009;7(2):153-156. doi:<a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>
  apa: Blankenburg, S., Rauls, E., &#38; Schmidt, W. G. (2009). The physics of highly
    ordered molecular rows. <i>Physica Status Solidi (c)</i>, <i>7</i>(2), 153–156.
    <a href="https://doi.org/10.1002/pssc.200982459">https://doi.org/10.1002/pssc.200982459</a>
  bibtex: '@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered
    molecular rows}, volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>},
    number={2}, journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls,
    E. and Schmidt, Wolf Gero}, year={2009}, pages={153–156} }'
  chicago: 'Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “The Physics of Highly
    Ordered Molecular Rows.” <i>Physica Status Solidi (c)</i> 7, no. 2 (2009): 153–56.
    <a href="https://doi.org/10.1002/pssc.200982459">https://doi.org/10.1002/pssc.200982459</a>.'
  ieee: 'S. Blankenburg, E. Rauls, and W. G. Schmidt, “The physics of highly ordered
    molecular rows,” <i>physica status solidi (c)</i>, vol. 7, no. 2, pp. 153–156,
    2009, doi: <a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>.'
  mla: Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” <i>Physica
    Status Solidi (c)</i>, vol. 7, no. 2, 2009, pp. 153–56, doi:<a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>.
  short: S. Blankenburg, E. Rauls, W.G. Schmidt, Physica Status Solidi (c) 7 (2009)
    153–156.
date_created: 2019-10-01T14:29:12Z
date_updated: 2025-12-05T12:44:43Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200982459
intvolume: '         7'
issue: '2'
language:
- iso: eng
page: 153-156
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: The physics of highly ordered molecular rows
type: journal_article
user_id: '16199'
volume: 7
year: '2009'
...
---
_id: '13578'
author:
- 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: Sanna S, Gavrilenko AV, Schmidt WG. Ab initioinvestigation of the LiNbO3(0001)
    surface. <i>physica status solidi (c)</i>. Published online 2009:145-148. doi:<a
    href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>
  apa: Sanna, S., Gavrilenko, A. V., &#38; Schmidt, W. G. (2009). Ab initioinvestigation
    of the LiNbO3(0001) surface. <i>Physica Status Solidi (c)</i>, 145–148. <a href="https://doi.org/10.1002/pssc.200982456">https://doi.org/10.1002/pssc.200982456</a>
  bibtex: '@article{Sanna_Gavrilenko_Schmidt_2009, title={Ab initioinvestigation of
    the LiNbO3(0001) surface}, DOI={<a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>},
    journal={physica status solidi (c)}, author={Sanna, Simone and Gavrilenko, Alexander
    V. and Schmidt, Wolf Gero}, year={2009}, pages={145–148} }'
  chicago: Sanna, Simone, Alexander V. Gavrilenko, and Wolf Gero Schmidt. “Ab Initioinvestigation
    of the LiNbO3(0001) Surface.” <i>Physica Status Solidi (c)</i>, 2009, 145–48.
    <a href="https://doi.org/10.1002/pssc.200982456">https://doi.org/10.1002/pssc.200982456</a>.
  ieee: 'S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Ab initioinvestigation of
    the LiNbO3(0001) surface,” <i>physica status solidi (c)</i>, pp. 145–148, 2009,
    doi: <a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>.'
  mla: Sanna, Simone, et al. “Ab Initioinvestigation of the LiNbO3(0001) Surface.”
    <i>Physica Status Solidi (c)</i>, 2009, pp. 145–48, doi:<a href="https://doi.org/10.1002/pssc.200982456">10.1002/pssc.200982456</a>.
  short: S. Sanna, A.V. Gavrilenko, W.G. Schmidt, Physica Status Solidi (c) (2009)
    145–148.
date_created: 2019-10-01T14:31:18Z
date_updated: 2025-12-05T12:44:17Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.200982456
language:
- iso: eng
page: 145-148
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: Ab initioinvestigation of the LiNbO3(0001) surface
type: journal_article
user_id: '16199'
year: '2009'
...
---
_id: '13576'
author:
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Blankenburg S, Rauls E, Schmidt WG. The physics of highly ordered molecular
    rows. <i>physica status solidi (c)</i>. Published online 2009:153-156. doi:<a
    href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>
  apa: Blankenburg, S., Rauls, E., &#38; Schmidt, W. G. (2009). The physics of highly
    ordered molecular rows. <i>Physica Status Solidi (c)</i>, 153–156. <a href="https://doi.org/10.1002/pssc.200982459">https://doi.org/10.1002/pssc.200982459</a>
  bibtex: '@article{Blankenburg_Rauls_Schmidt_2009, title={The physics of highly ordered
    molecular rows}, DOI={<a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>},
    journal={physica status solidi (c)}, author={Blankenburg, S. and Rauls, E. and
    Schmidt, Wolf Gero}, year={2009}, pages={153–156} }'
  chicago: Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “The Physics of Highly
    Ordered Molecular Rows.” <i>Physica Status Solidi (c)</i>, 2009, 153–56. <a href="https://doi.org/10.1002/pssc.200982459">https://doi.org/10.1002/pssc.200982459</a>.
  ieee: 'S. Blankenburg, E. Rauls, and W. G. Schmidt, “The physics of highly ordered
    molecular rows,” <i>physica status solidi (c)</i>, pp. 153–156, 2009, doi: <a
    href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>.'
  mla: Blankenburg, S., et al. “The Physics of Highly Ordered Molecular Rows.” <i>Physica
    Status Solidi (c)</i>, 2009, pp. 153–56, doi:<a href="https://doi.org/10.1002/pssc.200982459">10.1002/pssc.200982459</a>.
  short: S. Blankenburg, E. Rauls, W.G. Schmidt, Physica Status Solidi (c) (2009)
    153–156.
date_created: 2019-10-01T14:28:30Z
date_updated: 2025-12-05T12:44:54Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
doi: 10.1002/pssc.200982459
language:
- iso: eng
page: 153-156
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
  issn:
  - 1862-6351
  - 1610-1642
publication_status: published
status: public
title: The physics of highly ordered molecular rows
type: journal_article
user_id: '16199'
year: '2009'
...
---
_id: '13665'
author:
- first_name: M.
  full_name: Landmann, M.
  last_name: Landmann
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Landmann M, Rauls E, Schmidt WG. First-principles calculations of clean Au(110)
    surfaces and chemisorption of atomic oxygen. <i>Physical Review B</i>. 2009;79(4).
    doi:<a href="https://doi.org/10.1103/physrevb.79.045412">10.1103/physrevb.79.045412</a>
  apa: Landmann, M., Rauls, E., &#38; Schmidt, W. G. (2009). First-principles calculations
    of clean Au(110) surfaces and chemisorption of atomic oxygen. <i>Physical Review
    B</i>, <i>79</i>(4). <a href="https://doi.org/10.1103/physrevb.79.045412">https://doi.org/10.1103/physrevb.79.045412</a>
  bibtex: '@article{Landmann_Rauls_Schmidt_2009, title={First-principles calculations
    of clean Au(110) surfaces and chemisorption of atomic oxygen}, volume={79}, DOI={<a
    href="https://doi.org/10.1103/physrevb.79.045412">10.1103/physrevb.79.045412</a>},
    number={4}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and
    Schmidt, Wolf Gero}, year={2009} }'
  chicago: Landmann, M., E. Rauls, and Wolf Gero Schmidt. “First-Principles Calculations
    of Clean Au(110) Surfaces and Chemisorption of Atomic Oxygen.” <i>Physical Review
    B</i> 79, no. 4 (2009). <a href="https://doi.org/10.1103/physrevb.79.045412">https://doi.org/10.1103/physrevb.79.045412</a>.
  ieee: 'M. Landmann, E. Rauls, and W. G. Schmidt, “First-principles calculations
    of clean Au(110) surfaces and chemisorption of atomic oxygen,” <i>Physical Review
    B</i>, vol. 79, no. 4, 2009, doi: <a href="https://doi.org/10.1103/physrevb.79.045412">10.1103/physrevb.79.045412</a>.'
  mla: Landmann, M., et al. “First-Principles Calculations of Clean Au(110) Surfaces
    and Chemisorption of Atomic Oxygen.” <i>Physical Review B</i>, vol. 79, no. 4,
    2009, doi:<a href="https://doi.org/10.1103/physrevb.79.045412">10.1103/physrevb.79.045412</a>.
  short: M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 79 (2009).
date_created: 2019-10-09T09:22:48Z
date_updated: 2025-12-05T13:08:56Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.79.045412
intvolume: '        79'
issue: '4'
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: First-principles calculations of clean Au(110) surfaces and chemisorption of
  atomic oxygen
type: journal_article
user_id: '16199'
volume: 79
year: '2009'
...
---
_id: '13662'
article_number: '185001'
author:
- first_name: S
  full_name: Blankenburg, S
  last_name: Blankenburg
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Blankenburg S, Schmidt WG. Glutamic acid adsorbed on Ag(110): direct and indirect
    molecular interactions. <i>Journal of Physics: Condensed Matter</i>. 2009;21.
    doi:<a href="https://doi.org/10.1088/0953-8984/21/18/185001">10.1088/0953-8984/21/18/185001</a>'
  apa: 'Blankenburg, S., &#38; Schmidt, W. G. (2009). Glutamic acid adsorbed on Ag(110):
    direct and indirect molecular interactions. <i>Journal of Physics: Condensed Matter</i>,
    <i>21</i>, Article 185001. <a href="https://doi.org/10.1088/0953-8984/21/18/185001">https://doi.org/10.1088/0953-8984/21/18/185001</a>'
  bibtex: '@article{Blankenburg_Schmidt_2009, title={Glutamic acid adsorbed on Ag(110):
    direct and indirect molecular interactions}, volume={21}, DOI={<a href="https://doi.org/10.1088/0953-8984/21/18/185001">10.1088/0953-8984/21/18/185001</a>},
    number={185001}, journal={Journal of Physics: Condensed Matter}, author={Blankenburg,
    S and Schmidt, Wolf Gero}, year={2009} }'
  chicago: 'Blankenburg, S, and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110):
    Direct and Indirect Molecular Interactions.” <i>Journal of Physics: Condensed
    Matter</i> 21 (2009). <a href="https://doi.org/10.1088/0953-8984/21/18/185001">https://doi.org/10.1088/0953-8984/21/18/185001</a>.'
  ieee: 'S. Blankenburg and W. G. Schmidt, “Glutamic acid adsorbed on Ag(110): direct
    and indirect molecular interactions,” <i>Journal of Physics: Condensed Matter</i>,
    vol. 21, Art. no. 185001, 2009, doi: <a href="https://doi.org/10.1088/0953-8984/21/18/185001">10.1088/0953-8984/21/18/185001</a>.'
  mla: 'Blankenburg, S., and Wolf Gero Schmidt. “Glutamic Acid Adsorbed on Ag(110):
    Direct and Indirect Molecular Interactions.” <i>Journal of Physics: Condensed
    Matter</i>, vol. 21, 185001, 2009, doi:<a href="https://doi.org/10.1088/0953-8984/21/18/185001">10.1088/0953-8984/21/18/185001</a>.'
  short: 'S. Blankenburg, W.G. Schmidt, Journal of Physics: Condensed Matter 21 (2009).'
date_created: 2019-10-09T09:12:29Z
date_updated: 2025-12-05T13:11:44Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1088/0953-8984/21/18/185001
funded_apc: '1'
intvolume: '        21'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
  issn:
  - 0953-8984
  - 1361-648X
publication_status: published
status: public
title: 'Glutamic acid adsorbed on Ag(110): direct and indirect molecular interactions'
type: journal_article
user_id: '16199'
volume: 21
year: '2009'
...
---
_id: '13659'
author:
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Blankenburg S, Rauls E, Schmidt WG. Role of Dihydrogen Bonds for the Stabilization
    of Self-Assembled Molecular Nanostructures. <i>The Journal of Physical Chemistry
    C</i>. 2009;113:12653-12657. doi:<a href="https://doi.org/10.1021/jp902337p">10.1021/jp902337p</a>
  apa: Blankenburg, S., Rauls, E., &#38; Schmidt, W. G. (2009). Role of Dihydrogen
    Bonds for the Stabilization of Self-Assembled Molecular Nanostructures. <i>The
    Journal of Physical Chemistry C</i>, <i>113</i>, 12653–12657. <a href="https://doi.org/10.1021/jp902337p">https://doi.org/10.1021/jp902337p</a>
  bibtex: '@article{Blankenburg_Rauls_Schmidt_2009, title={Role of Dihydrogen Bonds
    for the Stabilization of Self-Assembled Molecular Nanostructures}, volume={113},
    DOI={<a href="https://doi.org/10.1021/jp902337p">10.1021/jp902337p</a>}, journal={The
    Journal of Physical Chemistry C}, author={Blankenburg, S. and Rauls, E. and Schmidt,
    Wolf Gero}, year={2009}, pages={12653–12657} }'
  chicago: 'Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “Role of Dihydrogen
    Bonds for the Stabilization of Self-Assembled Molecular Nanostructures.” <i>The
    Journal of Physical Chemistry C</i> 113 (2009): 12653–57. <a href="https://doi.org/10.1021/jp902337p">https://doi.org/10.1021/jp902337p</a>.'
  ieee: 'S. Blankenburg, E. Rauls, and W. G. Schmidt, “Role of Dihydrogen Bonds for
    the Stabilization of Self-Assembled Molecular Nanostructures,” <i>The Journal
    of Physical Chemistry C</i>, vol. 113, pp. 12653–12657, 2009, doi: <a href="https://doi.org/10.1021/jp902337p">10.1021/jp902337p</a>.'
  mla: Blankenburg, S., et al. “Role of Dihydrogen Bonds for the Stabilization of
    Self-Assembled Molecular Nanostructures.” <i>The Journal of Physical Chemistry
    C</i>, vol. 113, 2009, pp. 12653–57, doi:<a href="https://doi.org/10.1021/jp902337p">10.1021/jp902337p</a>.
  short: S. Blankenburg, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry
    C 113 (2009) 12653–12657.
date_created: 2019-10-09T09:05:51Z
date_updated: 2025-12-05T13:12:04Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/jp902337p
funded_apc: '1'
intvolume: '       113'
language:
- iso: eng
page: 12653-12657
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: Role of Dihydrogen Bonds for the Stabilization of Self-Assembled Molecular
  Nanostructures
type: journal_article
user_id: '16199'
volume: 113
year: '2009'
...
---
_id: '13664'
author:
- first_name: B.
  full_name: Lange, B.
  last_name: Lange
- first_name: R.
  full_name: Posner, R.
  last_name: Posner
- first_name: K.
  full_name: Pohl, K.
  last_name: Pohl
- first_name: C.
  full_name: Thierfelder, C.
  last_name: Thierfelder
- first_name: Guido
  full_name: Grundmeier, Guido
  id: '194'
  last_name: Grundmeier
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Lange B, Posner R, Pohl K, et al. Water adsorption on hydrogenated Si(111)
    surfaces. <i>Surface Science</i>. 2009;603:60-64. doi:<a href="https://doi.org/10.1016/j.susc.2008.10.030">10.1016/j.susc.2008.10.030</a>
  apa: Lange, B., Posner, R., Pohl, K., Thierfelder, C., Grundmeier, G., Blankenburg,
    S., &#38; Schmidt, W. G. (2009). Water adsorption on hydrogenated Si(111) surfaces.
    <i>Surface Science</i>, <i>603</i>, 60–64. <a href="https://doi.org/10.1016/j.susc.2008.10.030">https://doi.org/10.1016/j.susc.2008.10.030</a>
  bibtex: '@article{Lange_Posner_Pohl_Thierfelder_Grundmeier_Blankenburg_Schmidt_2009,
    title={Water adsorption on hydrogenated Si(111) surfaces}, volume={603}, DOI={<a
    href="https://doi.org/10.1016/j.susc.2008.10.030">10.1016/j.susc.2008.10.030</a>},
    journal={Surface Science}, author={Lange, B. and Posner, R. and Pohl, K. and Thierfelder,
    C. and Grundmeier, Guido and Blankenburg, S. and Schmidt, Wolf Gero}, year={2009},
    pages={60–64} }'
  chicago: 'Lange, B., R. Posner, K. Pohl, C. Thierfelder, Guido Grundmeier, S. Blankenburg,
    and Wolf Gero Schmidt. “Water Adsorption on Hydrogenated Si(111) Surfaces.” <i>Surface
    Science</i> 603 (2009): 60–64. <a href="https://doi.org/10.1016/j.susc.2008.10.030">https://doi.org/10.1016/j.susc.2008.10.030</a>.'
  ieee: 'B. Lange <i>et al.</i>, “Water adsorption on hydrogenated Si(111) surfaces,”
    <i>Surface Science</i>, vol. 603, pp. 60–64, 2009, doi: <a href="https://doi.org/10.1016/j.susc.2008.10.030">10.1016/j.susc.2008.10.030</a>.'
  mla: Lange, B., et al. “Water Adsorption on Hydrogenated Si(111) Surfaces.” <i>Surface
    Science</i>, vol. 603, 2009, pp. 60–64, doi:<a href="https://doi.org/10.1016/j.susc.2008.10.030">10.1016/j.susc.2008.10.030</a>.
  short: B. Lange, R. Posner, K. Pohl, C. Thierfelder, G. Grundmeier, S. Blankenburg,
    W.G. Schmidt, Surface Science 603 (2009) 60–64.
date_created: 2019-10-09T09:17:22Z
date_updated: 2025-12-05T13:11:22Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '302'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.susc.2008.10.030
funded_apc: '1'
intvolume: '       603'
language:
- iso: eng
page: 60-64
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Surface Science
publication_identifier:
  issn:
  - 0039-6028
publication_status: published
status: public
title: Water adsorption on hydrogenated Si(111) surfaces
type: journal_article
user_id: '16199'
volume: 603
year: '2009'
...
---
_id: '13661'
author:
- first_name: M.
  full_name: Landmann, M.
  last_name: Landmann
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Landmann M, Rauls E, Schmidt WG. Chainlike Au−O Structures on Au(110)-(1 ×
    r) Surfaces Calculated from First Principles. <i>The Journal of Physical Chemistry
    C</i>. 2009;113:5690-5699. doi:<a href="https://doi.org/10.1021/jp810581s">10.1021/jp810581s</a>
  apa: Landmann, M., Rauls, E., &#38; Schmidt, W. G. (2009). Chainlike Au−O Structures
    on Au(110)-(1 × r) Surfaces Calculated from First Principles. <i>The Journal of
    Physical Chemistry C</i>, <i>113</i>, 5690–5699. <a href="https://doi.org/10.1021/jp810581s">https://doi.org/10.1021/jp810581s</a>
  bibtex: '@article{Landmann_Rauls_Schmidt_2009, title={Chainlike Au−O Structures
    on Au(110)-(1 × r) Surfaces Calculated from First Principles}, volume={113}, DOI={<a
    href="https://doi.org/10.1021/jp810581s">10.1021/jp810581s</a>}, journal={The
    Journal of Physical Chemistry C}, author={Landmann, M. and Rauls, E. and Schmidt,
    Wolf Gero}, year={2009}, pages={5690–5699} }'
  chicago: 'Landmann, M., E. Rauls, and Wolf Gero Schmidt. “Chainlike Au−O Structures
    on Au(110)-(1 × r) Surfaces Calculated from First Principles.” <i>The Journal
    of Physical Chemistry C</i> 113 (2009): 5690–99. <a href="https://doi.org/10.1021/jp810581s">https://doi.org/10.1021/jp810581s</a>.'
  ieee: 'M. Landmann, E. Rauls, and W. G. Schmidt, “Chainlike Au−O Structures on Au(110)-(1
    × r) Surfaces Calculated from First Principles,” <i>The Journal of Physical Chemistry
    C</i>, vol. 113, pp. 5690–5699, 2009, doi: <a href="https://doi.org/10.1021/jp810581s">10.1021/jp810581s</a>.'
  mla: Landmann, M., et al. “Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces
    Calculated from First Principles.” <i>The Journal of Physical Chemistry C</i>,
    vol. 113, 2009, pp. 5690–99, doi:<a href="https://doi.org/10.1021/jp810581s">10.1021/jp810581s</a>.
  short: M. Landmann, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry C
    113 (2009) 5690–5699.
date_created: 2019-10-09T09:09:13Z
date_updated: 2025-12-05T13:09:58Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1021/jp810581s
intvolume: '       113'
language:
- iso: eng
page: 5690-5699
publication: The Journal of Physical Chemistry C
publication_identifier:
  issn:
  - 1932-7447
  - 1932-7455
publication_status: published
status: public
title: Chainlike Au−O Structures on Au(110)-(1 × r) Surfaces Calculated from First
  Principles
type: journal_article
user_id: '16199'
volume: 113
year: '2009'
...
---
_id: '13660'
author:
- first_name: S.
  full_name: Chandola, S.
  last_name: Chandola
- first_name: K.
  full_name: Hinrichs, K.
  last_name: Hinrichs
- first_name: M.
  full_name: Gensch, M.
  last_name: Gensch
- first_name: N.
  full_name: Esser, N.
  last_name: Esser
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: F.
  full_name: Bechstedt, F.
  last_name: Bechstedt
- first_name: K.
  full_name: Fleischer, K.
  last_name: Fleischer
- first_name: J. F.
  full_name: McGilp, J. F.
  last_name: McGilp
citation:
  ama: Chandola S, Hinrichs K, Gensch M, et al. Structure of Si(111)-In Nanowires
    Determined from the Midinfrared Optical Response. <i>Physical Review Letters</i>.
    2009;102(22). doi:<a href="https://doi.org/10.1103/physrevlett.102.226805">10.1103/physrevlett.102.226805</a>
  apa: Chandola, S., Hinrichs, K., Gensch, M., Esser, N., Wippermann, S., Schmidt,
    W. G., Bechstedt, F., Fleischer, K., &#38; McGilp, J. F. (2009). Structure of
    Si(111)-In Nanowires Determined from the Midinfrared Optical Response. <i>Physical
    Review Letters</i>, <i>102</i>(22). <a href="https://doi.org/10.1103/physrevlett.102.226805">https://doi.org/10.1103/physrevlett.102.226805</a>
  bibtex: '@article{Chandola_Hinrichs_Gensch_Esser_Wippermann_Schmidt_Bechstedt_Fleischer_McGilp_2009,
    title={Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical
    Response}, volume={102}, DOI={<a href="https://doi.org/10.1103/physrevlett.102.226805">10.1103/physrevlett.102.226805</a>},
    number={22}, journal={Physical Review Letters}, author={Chandola, S. and Hinrichs,
    K. and Gensch, M. and Esser, N. and Wippermann, S. and Schmidt, Wolf Gero and
    Bechstedt, F. and Fleischer, K. and McGilp, J. F.}, year={2009} }'
  chicago: Chandola, S., K. Hinrichs, M. Gensch, N. Esser, S. Wippermann, Wolf Gero
    Schmidt, F. Bechstedt, K. Fleischer, and J. F. McGilp. “Structure of Si(111)-In
    Nanowires Determined from the Midinfrared Optical Response.” <i>Physical Review
    Letters</i> 102, no. 22 (2009). <a href="https://doi.org/10.1103/physrevlett.102.226805">https://doi.org/10.1103/physrevlett.102.226805</a>.
  ieee: 'S. Chandola <i>et al.</i>, “Structure of Si(111)-In Nanowires Determined
    from the Midinfrared Optical Response,” <i>Physical Review Letters</i>, vol. 102,
    no. 22, 2009, doi: <a href="https://doi.org/10.1103/physrevlett.102.226805">10.1103/physrevlett.102.226805</a>.'
  mla: Chandola, S., et al. “Structure of Si(111)-In Nanowires Determined from the
    Midinfrared Optical Response.” <i>Physical Review Letters</i>, vol. 102, no. 22,
    2009, doi:<a href="https://doi.org/10.1103/physrevlett.102.226805">10.1103/physrevlett.102.226805</a>.
  short: S. Chandola, K. Hinrichs, M. Gensch, N. Esser, S. Wippermann, W.G. Schmidt,
    F. Bechstedt, K. Fleischer, J.F. McGilp, Physical Review Letters 102 (2009).
date_created: 2019-10-09T09:06:57Z
date_updated: 2025-12-05T13:12:34Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevlett.102.226805
intvolume: '       102'
issue: '22'
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: Structure of Si(111)-In Nanowires Determined from the Midinfrared Optical Response
type: journal_article
user_id: '16199'
volume: 102
year: '2009'
...
---
_id: '13658'
author:
- first_name: Regina
  full_name: Passmann, Regina
  last_name: Passmann
- first_name: Priscila
  full_name: Favero, Priscila
  last_name: Favero
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Ronei
  full_name: Miotto, Ronei
  last_name: Miotto
- first_name: Walter
  full_name: Braun, Walter
  last_name: Braun
- first_name: Wolfgang
  full_name: Richter, Wolfgang
  last_name: Richter
- first_name: Michael
  full_name: Kneissl, Michael
  last_name: Kneissl
- first_name: Norbert
  full_name: Esser, Norbert
  last_name: Esser
- first_name: Patrick
  full_name: Vogt, Patrick
  last_name: Vogt
citation:
  ama: Passmann R, Favero P, Schmidt WG, et al. Adsorption structure of cyclopentene
    on InP(001)(2×4). <i>Physical Review B</i>. 2009;80(12). doi:<a href="https://doi.org/10.1103/physrevb.80.125303">10.1103/physrevb.80.125303</a>
  apa: Passmann, R., Favero, P., Schmidt, W. G., Miotto, R., Braun, W., Richter, W.,
    Kneissl, M., Esser, N., &#38; Vogt, P. (2009). Adsorption structure of cyclopentene
    on InP(001)(2×4). <i>Physical Review B</i>, <i>80</i>(12). <a href="https://doi.org/10.1103/physrevb.80.125303">https://doi.org/10.1103/physrevb.80.125303</a>
  bibtex: '@article{Passmann_Favero_Schmidt_Miotto_Braun_Richter_Kneissl_Esser_Vogt_2009,
    title={Adsorption structure of cyclopentene on InP(001)(2×4)}, volume={80}, DOI={<a
    href="https://doi.org/10.1103/physrevb.80.125303">10.1103/physrevb.80.125303</a>},
    number={12}, journal={Physical Review B}, author={Passmann, Regina and Favero,
    Priscila and Schmidt, Wolf Gero and Miotto, Ronei and Braun, Walter and Richter,
    Wolfgang and Kneissl, Michael and Esser, Norbert and Vogt, Patrick}, year={2009}
    }'
  chicago: Passmann, Regina, Priscila Favero, Wolf Gero Schmidt, Ronei Miotto, Walter
    Braun, Wolfgang Richter, Michael Kneissl, Norbert Esser, and Patrick Vogt. “Adsorption
    Structure of Cyclopentene on InP(001)(2×4).” <i>Physical Review B</i> 80, no.
    12 (2009). <a href="https://doi.org/10.1103/physrevb.80.125303">https://doi.org/10.1103/physrevb.80.125303</a>.
  ieee: 'R. Passmann <i>et al.</i>, “Adsorption structure of cyclopentene on InP(001)(2×4),”
    <i>Physical Review B</i>, vol. 80, no. 12, 2009, doi: <a href="https://doi.org/10.1103/physrevb.80.125303">10.1103/physrevb.80.125303</a>.'
  mla: Passmann, Regina, et al. “Adsorption Structure of Cyclopentene on InP(001)(2×4).”
    <i>Physical Review B</i>, vol. 80, no. 12, 2009, doi:<a href="https://doi.org/10.1103/physrevb.80.125303">10.1103/physrevb.80.125303</a>.
  short: R. Passmann, P. Favero, W.G. Schmidt, R. Miotto, W. Braun, W. Richter, M.
    Kneissl, N. Esser, P. Vogt, Physical Review B 80 (2009).
date_created: 2019-10-09T09:03:33Z
date_updated: 2025-12-05T13:13:21Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1103/physrevb.80.125303
funded_apc: '1'
intvolume: '        80'
issue: '12'
language:
- iso: eng
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Adsorption structure of cyclopentene on InP(001)(2×4)
type: journal_article
user_id: '16199'
volume: 80
year: '2009'
...
---
_id: '13657'
author:
- first_name: Simone
  full_name: Sanna, Simone
  last_name: Sanna
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Th.
  full_name: Frauenheim, Th.
  last_name: Frauenheim
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: 'Sanna S, Schmidt WG, Frauenheim Th, Gerstmann U. Rare-earth defect pairs in
    GaN: LDA+U calculations. <i>Physical Review B</i>. 2009;80(10). doi:<a href="https://doi.org/10.1103/physrevb.80.104120">10.1103/physrevb.80.104120</a>'
  apa: 'Sanna, S., Schmidt, W. G., Frauenheim, Th., &#38; Gerstmann, U. (2009). Rare-earth
    defect pairs in GaN: LDA+U calculations. <i>Physical Review B</i>, <i>80</i>(10).
    <a href="https://doi.org/10.1103/physrevb.80.104120">https://doi.org/10.1103/physrevb.80.104120</a>'
  bibtex: '@article{Sanna_Schmidt_Frauenheim_Gerstmann_2009, title={Rare-earth defect
    pairs in GaN: LDA+U calculations}, volume={80}, DOI={<a href="https://doi.org/10.1103/physrevb.80.104120">10.1103/physrevb.80.104120</a>},
    number={10}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf
    Gero and Frauenheim, Th. and Gerstmann, Uwe}, year={2009} }'
  chicago: 'Sanna, Simone, Wolf Gero Schmidt, Th. Frauenheim, and Uwe Gerstmann. “Rare-Earth
    Defect Pairs in GaN: LDA+U Calculations.” <i>Physical Review B</i> 80, no. 10
    (2009). <a href="https://doi.org/10.1103/physrevb.80.104120">https://doi.org/10.1103/physrevb.80.104120</a>.'
  ieee: 'S. Sanna, W. G. Schmidt, Th. Frauenheim, and U. Gerstmann, “Rare-earth defect
    pairs in GaN: LDA+U calculations,” <i>Physical Review B</i>, vol. 80, no. 10,
    2009, doi: <a href="https://doi.org/10.1103/physrevb.80.104120">10.1103/physrevb.80.104120</a>.'
  mla: 'Sanna, Simone, et al. “Rare-Earth Defect Pairs in GaN: LDA+U Calculations.”
    <i>Physical Review B</i>, vol. 80, no. 10, 2009, doi:<a href="https://doi.org/10.1103/physrevb.80.104120">10.1103/physrevb.80.104120</a>.'
  short: S. Sanna, W.G. Schmidt, Th. Frauenheim, U. Gerstmann, Physical Review B 80
    (2009).
date_created: 2019-10-09T09:02:12Z
date_updated: 2025-12-05T13:13:04Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.80.104120
intvolume: '        80'
issue: '10'
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: 'Rare-earth defect pairs in GaN: LDA+U calculations'
type: journal_article
user_id: '16199'
volume: 80
year: '2009'
...
---
_id: '13655'
author:
- first_name: P.
  full_name: Thissen, P.
  last_name: Thissen
- first_name: Guido
  full_name: Grundmeier, Guido
  id: '194'
  last_name: Grundmeier
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Thissen P, Grundmeier G, Wippermann S, Schmidt WG. Water adsorption on the
    α-Al2O3(0001) surface. <i>Physical Review B</i>. 2009;80(24). doi:<a href="https://doi.org/10.1103/physrevb.80.245403">10.1103/physrevb.80.245403</a>
  apa: Thissen, P., Grundmeier, G., Wippermann, S., &#38; Schmidt, W. G. (2009). Water
    adsorption on the α-Al2O3(0001) surface. <i>Physical Review B</i>, <i>80</i>(24).
    <a href="https://doi.org/10.1103/physrevb.80.245403">https://doi.org/10.1103/physrevb.80.245403</a>
  bibtex: '@article{Thissen_Grundmeier_Wippermann_Schmidt_2009, title={Water adsorption
    on the α-Al2O3(0001) surface}, volume={80}, DOI={<a href="https://doi.org/10.1103/physrevb.80.245403">10.1103/physrevb.80.245403</a>},
    number={24}, journal={Physical Review B}, author={Thissen, P. and Grundmeier,
    Guido and Wippermann, S. and Schmidt, Wolf Gero}, year={2009} }'
  chicago: Thissen, P., Guido Grundmeier, S. Wippermann, and Wolf Gero Schmidt. “Water
    Adsorption on the α-Al2O3(0001) Surface.” <i>Physical Review B</i> 80, no. 24
    (2009). <a href="https://doi.org/10.1103/physrevb.80.245403">https://doi.org/10.1103/physrevb.80.245403</a>.
  ieee: 'P. Thissen, G. Grundmeier, S. Wippermann, and W. G. Schmidt, “Water adsorption
    on the α-Al2O3(0001) surface,” <i>Physical Review B</i>, vol. 80, no. 24, 2009,
    doi: <a href="https://doi.org/10.1103/physrevb.80.245403">10.1103/physrevb.80.245403</a>.'
  mla: Thissen, P., et al. “Water Adsorption on the α-Al2O3(0001) Surface.” <i>Physical
    Review B</i>, vol. 80, no. 24, 2009, doi:<a href="https://doi.org/10.1103/physrevb.80.245403">10.1103/physrevb.80.245403</a>.
  short: P. Thissen, G. Grundmeier, S. Wippermann, W.G. Schmidt, Physical Review B
    80 (2009).
date_created: 2019-10-09T08:53:23Z
date_updated: 2025-12-05T13:14:27Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '302'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.80.245403
intvolume: '        80'
issue: '24'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Water adsorption on the α-Al2O3(0001) surface
type: journal_article
user_id: '16199'
volume: 80
year: '2009'
...
---
_id: '13802'
article_number: '395502'
author:
- first_name: Paolo
  full_name: Giannozzi, Paolo
  last_name: Giannozzi
- first_name: Stefano
  full_name: Baroni, Stefano
  last_name: Baroni
- first_name: Nicola
  full_name: Bonini, Nicola
  last_name: Bonini
- first_name: Matteo
  full_name: Calandra, Matteo
  last_name: Calandra
- first_name: Roberto
  full_name: Car, Roberto
  last_name: Car
- first_name: Carlo
  full_name: Cavazzoni, Carlo
  last_name: Cavazzoni
- first_name: Davide
  full_name: Ceresoli, Davide
  last_name: Ceresoli
- first_name: Guido L
  full_name: Chiarotti, Guido L
  last_name: Chiarotti
- first_name: Matteo
  full_name: Cococcioni, Matteo
  last_name: Cococcioni
- first_name: Ismaila
  full_name: Dabo, Ismaila
  last_name: Dabo
- first_name: Andrea
  full_name: Dal Corso, Andrea
  last_name: Dal Corso
- first_name: Stefano
  full_name: de Gironcoli, Stefano
  last_name: de Gironcoli
- first_name: Stefano
  full_name: Fabris, Stefano
  last_name: Fabris
- first_name: Guido
  full_name: Fratesi, Guido
  last_name: Fratesi
- first_name: Ralph
  full_name: Gebauer, Ralph
  last_name: Gebauer
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Christos
  full_name: Gougoussis, Christos
  last_name: Gougoussis
- first_name: Anton
  full_name: Kokalj, Anton
  last_name: Kokalj
- first_name: Michele
  full_name: Lazzeri, Michele
  last_name: Lazzeri
- first_name: Layla
  full_name: Martin-Samos, Layla
  last_name: Martin-Samos
- first_name: Nicola
  full_name: Marzari, Nicola
  last_name: Marzari
- first_name: Francesco
  full_name: Mauri, Francesco
  last_name: Mauri
- first_name: Riccardo
  full_name: Mazzarello, Riccardo
  last_name: Mazzarello
- first_name: Stefano
  full_name: Paolini, Stefano
  last_name: Paolini
- first_name: Alfredo
  full_name: Pasquarello, Alfredo
  last_name: Pasquarello
- first_name: Lorenzo
  full_name: Paulatto, Lorenzo
  last_name: Paulatto
- first_name: Carlo
  full_name: Sbraccia, Carlo
  last_name: Sbraccia
- first_name: Sandro
  full_name: Scandolo, Sandro
  last_name: Scandolo
- first_name: Gabriele
  full_name: Sclauzero, Gabriele
  last_name: Sclauzero
- first_name: Ari P
  full_name: Seitsonen, Ari P
  last_name: Seitsonen
- first_name: Alexander
  full_name: Smogunov, Alexander
  last_name: Smogunov
- first_name: Paolo
  full_name: Umari, Paolo
  last_name: Umari
- first_name: Renata M
  full_name: Wentzcovitch, Renata M
  last_name: Wentzcovitch
citation:
  ama: 'Giannozzi P, Baroni S, Bonini N, et al. QUANTUM ESPRESSO: a modular and open-source
    software project for quantum simulations of materials. <i>Journal of Physics:
    Condensed Matter</i>. 2009;21(39). doi:<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>'
  apa: 'Giannozzi, P., Baroni, S., Bonini, N., Calandra, M., Car, R., Cavazzoni, C.,
    Ceresoli, D., Chiarotti, G. L., Cococcioni, M., Dabo, I., Dal Corso, A., de Gironcoli,
    S., Fabris, S., Fratesi, G., Gebauer, R., Gerstmann, U., Gougoussis, C., Kokalj,
    A., Lazzeri, M., … Wentzcovitch, R. M. (2009). QUANTUM ESPRESSO: a modular and
    open-source software project for quantum simulations of materials. <i>Journal
    of Physics: Condensed Matter</i>, <i>21</i>(39), Article 395502. <a href="https://doi.org/10.1088/0953-8984/21/39/395502">https://doi.org/10.1088/0953-8984/21/39/395502</a>'
  bibtex: '@article{Giannozzi_Baroni_Bonini_Calandra_Car_Cavazzoni_Ceresoli_Chiarotti_Cococcioni_Dabo_et
    al._2009, title={QUANTUM ESPRESSO: a modular and open-source software project
    for quantum simulations of materials}, volume={21}, DOI={<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>},
    number={39395502}, journal={Journal of Physics: Condensed Matter}, author={Giannozzi,
    Paolo and Baroni, Stefano and Bonini, Nicola and Calandra, Matteo and Car, Roberto
    and Cavazzoni, Carlo and Ceresoli, Davide and Chiarotti, Guido L and Cococcioni,
    Matteo and Dabo, Ismaila and et al.}, year={2009} }'
  chicago: 'Giannozzi, Paolo, Stefano Baroni, Nicola Bonini, Matteo Calandra, Roberto
    Car, Carlo Cavazzoni, Davide Ceresoli, et al. “QUANTUM ESPRESSO: A Modular and
    Open-Source Software Project for Quantum Simulations of Materials.” <i>Journal
    of Physics: Condensed Matter</i> 21, no. 39 (2009). <a href="https://doi.org/10.1088/0953-8984/21/39/395502">https://doi.org/10.1088/0953-8984/21/39/395502</a>.'
  ieee: 'P. Giannozzi <i>et al.</i>, “QUANTUM ESPRESSO: a modular and open-source
    software project for quantum simulations of materials,” <i>Journal of Physics:
    Condensed Matter</i>, vol. 21, no. 39, Art. no. 395502, 2009, doi: <a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>.'
  mla: 'Giannozzi, Paolo, et al. “QUANTUM ESPRESSO: A Modular and Open-Source Software
    Project for Quantum Simulations of Materials.” <i>Journal of Physics: Condensed
    Matter</i>, vol. 21, no. 39, 395502, 2009, doi:<a href="https://doi.org/10.1088/0953-8984/21/39/395502">10.1088/0953-8984/21/39/395502</a>.'
  short: 'P. Giannozzi, S. Baroni, N. Bonini, M. Calandra, R. Car, C. Cavazzoni, D.
    Ceresoli, G.L. Chiarotti, M. Cococcioni, I. Dabo, A. Dal Corso, S. de Gironcoli,
    S. Fabris, G. Fratesi, R. Gebauer, U. Gerstmann, C. Gougoussis, A. Kokalj, M.
    Lazzeri, L. Martin-Samos, N. Marzari, F. Mauri, R. Mazzarello, S. Paolini, A.
    Pasquarello, L. Paulatto, C. Sbraccia, S. Scandolo, G. Sclauzero, A.P. Seitsonen,
    A. Smogunov, P. Umari, R.M. Wentzcovitch, Journal of Physics: Condensed Matter
    21 (2009).'
date_created: 2019-10-11T10:42:39Z
date_updated: 2025-12-16T07:42:40Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '27'
doi: 10.1088/0953-8984/21/39/395502
funded_apc: '1'
intvolume: '        21'
issue: '39'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
  issn:
  - 0953-8984
  - 1361-648X
publication_status: published
status: public
title: 'QUANTUM ESPRESSO: a modular and open-source software project for quantum simulations
  of materials'
type: journal_article
user_id: '16199'
volume: 21
year: '2009'
...
---
_id: '13844'
abstract:
- lang: eng
  text: <jats:p>EPR and ESE in nitrogen doped 4H- and 6H-SiC show besides the well
    known triplet lines of 14N on quasi-cubic (Nc,k) and hexagonal (Nc,h) sites additional
    lines (Nx) of comparatively low intensity providing half the hf splitting of Nc,k.
    Frequently re-interpreted as spin-forbid¬den lines, arising from Nc,k pairs and
    triads or resulting from hopping conductivity, only re¬cent¬ly the theoretical
    calculation of the corresponding g-tensors lead to a tentative model of distant
    NC donor pairs on inequivalent lattice sites which are coupled to S = 1 assuming
    a fine-struc¬ture splitting too small to be observed in the EPR and ESE experiments.
    In this work, we pre¬sent ESE nutation measurements confirming S = 1 for the Nx
    center. Analysing the nutation frequencies in comparison with that of the Nc,k
    (S = 1/2) spectrum as well as the line width of ESE and EPR spectra we obtain
    a rough estimate between 5104 cm-1 and 50104 cm-1 for the fine-structure splitting
    demonstrating efficient spin-coupling between nitrogen donors in 4H-SiC.</jats:p>
author:
- first_name: D.V.
  full_name: Savchenko, D.V.
  last_name: Savchenko
- first_name: Andreas
  full_name: Pöppl, Andreas
  last_name: Pöppl
- first_name: Ekaterina N.
  full_name: Kalabukhova, Ekaterina N.
  last_name: Kalabukhova
- first_name: Siegmund
  full_name: Greulich-Weber, Siegmund
  last_name: Greulich-Weber
- 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: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: Savchenko DV, Pöppl A, Kalabukhova EN, et al. Spin-Coupling in Heavily Nitrogen-Doped
    4H-SiC. <i>Materials Science Forum</i>. 2009;615-617:343-346. doi:<a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">10.4028/www.scientific.net/msf.615-617.343</a>
  apa: Savchenko, D. V., Pöppl, A., Kalabukhova, E. N., Greulich-Weber, S., Rauls,
    E., Schmidt, W. G., &#38; Gerstmann, U. (2009). Spin-Coupling in Heavily Nitrogen-Doped
    4H-SiC. <i>Materials Science Forum</i>, <i>615–617</i>, 343–346. <a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">https://doi.org/10.4028/www.scientific.net/msf.615-617.343</a>
  bibtex: '@article{Savchenko_Pöppl_Kalabukhova_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009,
    title={Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC}, volume={615–617}, DOI={<a
    href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">10.4028/www.scientific.net/msf.615-617.343</a>},
    journal={Materials Science Forum}, author={Savchenko, D.V. and Pöppl, Andreas
    and Kalabukhova, Ekaterina N. and Greulich-Weber, Siegmund and Rauls, Eva and
    Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={343–346} }'
  chicago: 'Savchenko, D.V., Andreas Pöppl, Ekaterina N. Kalabukhova, Siegmund Greulich-Weber,
    Eva Rauls, Wolf Gero Schmidt, and Uwe Gerstmann. “Spin-Coupling in Heavily Nitrogen-Doped
    4H-SiC.” <i>Materials Science Forum</i> 615–617 (2009): 343–46. <a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">https://doi.org/10.4028/www.scientific.net/msf.615-617.343</a>.'
  ieee: 'D. V. Savchenko <i>et al.</i>, “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC,”
    <i>Materials Science Forum</i>, vol. 615–617, pp. 343–346, 2009, doi: <a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">10.4028/www.scientific.net/msf.615-617.343</a>.'
  mla: Savchenko, D. V., et al. “Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC.”
    <i>Materials Science Forum</i>, vol. 615–617, 2009, pp. 343–46, doi:<a href="https://doi.org/10.4028/www.scientific.net/msf.615-617.343">10.4028/www.scientific.net/msf.615-617.343</a>.
  short: D.V. Savchenko, A. Pöppl, E.N. Kalabukhova, S. Greulich-Weber, E. Rauls,
    W.G. Schmidt, U. Gerstmann, Materials Science Forum 615–617 (2009) 343–346.
date_created: 2019-10-15T07:58:04Z
date_updated: 2025-12-16T07:42:04Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '230'
doi: 10.4028/www.scientific.net/msf.615-617.343
funded_apc: '1'
language:
- iso: eng
page: 343-346
publication: Materials Science Forum
publication_identifier:
  issn:
  - 1662-9752
publication_status: published
status: public
title: Spin-Coupling in Heavily Nitrogen-Doped 4H-SiC
type: journal_article
user_id: '16199'
volume: 615-617
year: '2009'
...
---
_id: '23484'
article_number: '075330'
author:
- first_name: D.
  full_name: Golde, D.
  last_name: Golde
- first_name: T.
  full_name: Meier, T.
  last_name: Meier
- first_name: S. W.
  full_name: Koch, S. W.
  last_name: Koch
citation:
  ama: Golde D, Meier T, Koch SW. High harmonics generated in semiconductor nanostructures
    by the coupled dynamics of optical inter- and intraband excitations. <i>Physical
    Review B</i>. 2008;77(7). doi:<a href="https://doi.org/10.1103/physrevb.77.075330">10.1103/physrevb.77.075330</a>
  apa: Golde, D., Meier, T., &#38; Koch, S. W. (2008). High harmonics generated in
    semiconductor nanostructures by the coupled dynamics of optical inter- and intraband
    excitations. <i>Physical Review B</i>, <i>77</i>(7), Article 075330. <a href="https://doi.org/10.1103/physrevb.77.075330">https://doi.org/10.1103/physrevb.77.075330</a>
  bibtex: '@article{Golde_Meier_Koch_2008, title={High harmonics generated in semiconductor
    nanostructures by the coupled dynamics of optical inter- and intraband excitations},
    volume={77}, DOI={<a href="https://doi.org/10.1103/physrevb.77.075330">10.1103/physrevb.77.075330</a>},
    number={7075330}, journal={Physical Review B}, author={Golde, D. and Meier, T.
    and Koch, S. W.}, year={2008} }'
  chicago: Golde, D., T. Meier, and S. W. Koch. “High Harmonics Generated in Semiconductor
    Nanostructures by the Coupled Dynamics of Optical Inter- and Intraband Excitations.”
    <i>Physical Review B</i> 77, no. 7 (2008). <a href="https://doi.org/10.1103/physrevb.77.075330">https://doi.org/10.1103/physrevb.77.075330</a>.
  ieee: 'D. Golde, T. Meier, and S. W. Koch, “High harmonics generated in semiconductor
    nanostructures by the coupled dynamics of optical inter- and intraband excitations,”
    <i>Physical Review B</i>, vol. 77, no. 7, Art. no. 075330, 2008, doi: <a href="https://doi.org/10.1103/physrevb.77.075330">10.1103/physrevb.77.075330</a>.'
  mla: Golde, D., et al. “High Harmonics Generated in Semiconductor Nanostructures
    by the Coupled Dynamics of Optical Inter- and Intraband Excitations.” <i>Physical
    Review B</i>, vol. 77, no. 7, 075330, 2008, doi:<a href="https://doi.org/10.1103/physrevb.77.075330">10.1103/physrevb.77.075330</a>.
  short: D. Golde, T. Meier, S.W. Koch, Physical Review B 77 (2008).
date_created: 2021-08-24T09:03:19Z
date_updated: 2023-05-01T13:02:59Z
department:
- _id: '15'
- _id: '569'
- _id: '170'
- _id: '293'
- _id: '297'
- _id: '295'
doi: 10.1103/physrevb.77.075330
intvolume: '        77'
issue: '7'
language:
- iso: eng
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: High harmonics generated in semiconductor nanostructures by the coupled dynamics
  of optical inter- and intraband excitations
type: journal_article
user_id: '49063'
volume: 77
year: '2008'
...
---
_id: '13676'
author:
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: M.
  full_name: Albrecht, M.
  last_name: Albrecht
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: S.
  full_name: Blankenburg, S.
  last_name: Blankenburg
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: F.
  full_name: Fuchs, F.
  last_name: Fuchs
- first_name: C.
  full_name: Rödl, C.
  last_name: Rödl
- first_name: J.
  full_name: Furthmüller, J.
  last_name: Furthmüller
- first_name: A.
  full_name: Hermann, A.
  last_name: Hermann
citation:
  ama: Schmidt WG, Albrecht M, Wippermann S, et al. LiNbO3ground- and excited-state
    properties from first-principles calculations. <i>Physical Review B</i>. 2008;77.
    doi:<a href="https://doi.org/10.1103/physrevb.77.035106">10.1103/physrevb.77.035106</a>
  apa: Schmidt, W. G., Albrecht, M., Wippermann, S., Blankenburg, S., Rauls, E., Fuchs,
    F., Rödl, C., Furthmüller, J., &#38; Hermann, A. (2008). LiNbO3ground- and excited-state
    properties from first-principles calculations. <i>Physical Review B</i>, <i>77</i>.
    <a href="https://doi.org/10.1103/physrevb.77.035106">https://doi.org/10.1103/physrevb.77.035106</a>
  bibtex: '@article{Schmidt_Albrecht_Wippermann_Blankenburg_Rauls_Fuchs_Rödl_Furthmüller_Hermann_2008,
    title={LiNbO3ground- and excited-state properties from first-principles calculations},
    volume={77}, DOI={<a href="https://doi.org/10.1103/physrevb.77.035106">10.1103/physrevb.77.035106</a>},
    journal={Physical Review B}, author={Schmidt, Wolf Gero and Albrecht, M. and Wippermann,
    S. and Blankenburg, S. and Rauls, E. and Fuchs, F. and Rödl, C. and Furthmüller,
    J. and Hermann, A.}, year={2008} }'
  chicago: Schmidt, Wolf Gero, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls,
    F. Fuchs, C. Rödl, J. Furthmüller, and A. Hermann. “LiNbO3ground- and Excited-State
    Properties from First-Principles Calculations.” <i>Physical Review B</i> 77 (2008).
    <a href="https://doi.org/10.1103/physrevb.77.035106">https://doi.org/10.1103/physrevb.77.035106</a>.
  ieee: 'W. G. Schmidt <i>et al.</i>, “LiNbO3ground- and excited-state properties
    from first-principles calculations,” <i>Physical Review B</i>, vol. 77, 2008,
    doi: <a href="https://doi.org/10.1103/physrevb.77.035106">10.1103/physrevb.77.035106</a>.'
  mla: Schmidt, Wolf Gero, et al. “LiNbO3ground- and Excited-State Properties from
    First-Principles Calculations.” <i>Physical Review B</i>, vol. 77, 2008, doi:<a
    href="https://doi.org/10.1103/physrevb.77.035106">10.1103/physrevb.77.035106</a>.
  short: W.G. Schmidt, M. Albrecht, S. Wippermann, S. Blankenburg, E. Rauls, F. Fuchs,
    C. Rödl, J. Furthmüller, A. Hermann, Physical Review B 77 (2008).
date_created: 2019-10-09T09:40:07Z
date_updated: 2025-12-05T13:05:01Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '27'
- _id: '230'
- _id: '35'
doi: 10.1103/physrevb.77.035106
intvolume: '        77'
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: LiNbO3ground- and excited-state properties from first-principles calculations
type: journal_article
user_id: '16199'
volume: 77
year: '2008'
...
---
_id: '13674'
author:
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: N.
  full_name: Koch, N.
  last_name: Koch
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Wippermann S, Koch N, Schmidt WG. Adatom-Induced Conductance Modification
    of In Nanowires: Potential-Well Scattering and Structural Effects. <i>Physical
    Review Letters</i>. 2008;100(10). doi:<a href="https://doi.org/10.1103/physrevlett.100.106802">10.1103/physrevlett.100.106802</a>'
  apa: 'Wippermann, S., Koch, N., &#38; Schmidt, W. G. (2008). Adatom-Induced Conductance
    Modification of In Nanowires: Potential-Well Scattering and Structural Effects.
    <i>Physical Review Letters</i>, <i>100</i>(10). <a href="https://doi.org/10.1103/physrevlett.100.106802">https://doi.org/10.1103/physrevlett.100.106802</a>'
  bibtex: '@article{Wippermann_Koch_Schmidt_2008, title={Adatom-Induced Conductance
    Modification of In Nanowires: Potential-Well Scattering and Structural Effects},
    volume={100}, DOI={<a href="https://doi.org/10.1103/physrevlett.100.106802">10.1103/physrevlett.100.106802</a>},
    number={10}, journal={Physical Review Letters}, author={Wippermann, S. and Koch,
    N. and Schmidt, Wolf Gero}, year={2008} }'
  chicago: 'Wippermann, S., N. Koch, and Wolf Gero Schmidt. “Adatom-Induced Conductance
    Modification of In Nanowires: Potential-Well Scattering and Structural Effects.”
    <i>Physical Review Letters</i> 100, no. 10 (2008). <a href="https://doi.org/10.1103/physrevlett.100.106802">https://doi.org/10.1103/physrevlett.100.106802</a>.'
  ieee: 'S. Wippermann, N. Koch, and W. G. Schmidt, “Adatom-Induced Conductance Modification
    of In Nanowires: Potential-Well Scattering and Structural Effects,” <i>Physical
    Review Letters</i>, vol. 100, no. 10, 2008, doi: <a href="https://doi.org/10.1103/physrevlett.100.106802">10.1103/physrevlett.100.106802</a>.'
  mla: 'Wippermann, S., et al. “Adatom-Induced Conductance Modification of In Nanowires:
    Potential-Well Scattering and Structural Effects.” <i>Physical Review Letters</i>,
    vol. 100, no. 10, 2008, doi:<a href="https://doi.org/10.1103/physrevlett.100.106802">10.1103/physrevlett.100.106802</a>.'
  short: S. Wippermann, N. Koch, W.G. Schmidt, Physical Review Letters 100 (2008).
date_created: 2019-10-09T09:37:36Z
date_updated: 2025-12-05T13:06:02Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevlett.100.106802
intvolume: '       100'
issue: '10'
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: 'Adatom-Induced Conductance Modification of In Nanowires: Potential-Well Scattering
  and Structural Effects'
type: journal_article
user_id: '16199'
volume: 100
year: '2008'
...
---
_id: '13666'
author:
- first_name: S.
  full_name: Wippermann, S.
  last_name: Wippermann
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Wippermann S, Schmidt WG. Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O
    surfaces calculated from first principles. <i>Physical Review B</i>. 2008;78(23).
    doi:<a href="https://doi.org/10.1103/physrevb.78.235439">10.1103/physrevb.78.235439</a>
  apa: Wippermann, S., &#38; Schmidt, W. G. (2008). Water adsorption on clean Ni(111)
    and p(2×2)-Ni(111)-O surfaces calculated from first principles. <i>Physical Review
    B</i>, <i>78</i>(23). <a href="https://doi.org/10.1103/physrevb.78.235439">https://doi.org/10.1103/physrevb.78.235439</a>
  bibtex: '@article{Wippermann_Schmidt_2008, title={Water adsorption on clean Ni(111)
    and p(2×2)-Ni(111)-O surfaces calculated from first principles}, volume={78},
    DOI={<a href="https://doi.org/10.1103/physrevb.78.235439">10.1103/physrevb.78.235439</a>},
    number={23}, journal={Physical Review B}, author={Wippermann, S. and Schmidt,
    Wolf Gero}, year={2008} }'
  chicago: Wippermann, S., and Wolf Gero Schmidt. “Water Adsorption on Clean Ni(111)
    and p(2×2)-Ni(111)-O Surfaces Calculated from First Principles.” <i>Physical Review
    B</i> 78, no. 23 (2008). <a href="https://doi.org/10.1103/physrevb.78.235439">https://doi.org/10.1103/physrevb.78.235439</a>.
  ieee: 'S. Wippermann and W. G. Schmidt, “Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O
    surfaces calculated from first principles,” <i>Physical Review B</i>, vol. 78,
    no. 23, 2008, doi: <a href="https://doi.org/10.1103/physrevb.78.235439">10.1103/physrevb.78.235439</a>.'
  mla: Wippermann, S., and Wolf Gero Schmidt. “Water Adsorption on Clean Ni(111) and
    p(2×2)-Ni(111)-O Surfaces Calculated from First Principles.” <i>Physical Review
    B</i>, vol. 78, no. 23, 2008, doi:<a href="https://doi.org/10.1103/physrevb.78.235439">10.1103/physrevb.78.235439</a>.
  short: S. Wippermann, W.G. Schmidt, Physical Review B 78 (2008).
date_created: 2019-10-09T09:26:37Z
date_updated: 2025-12-05T13:08:19Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.78.235439
funded_apc: '1'
intvolume: '        78'
issue: '23'
language:
- iso: eng
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
  issn:
  - 1098-0121
  - 1550-235X
publication_status: published
status: public
title: Water adsorption on clean Ni(111) and p(2×2)-Ni(111)-O surfaces calculated
  from first principles
type: journal_article
user_id: '16199'
volume: 78
year: '2008'
...
---
_id: '13671'
author:
- first_name: A.
  full_name: Hermann, A.
  last_name: Hermann
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: P.
  full_name: Schwerdtfeger, P.
  last_name: Schwerdtfeger
citation:
  ama: 'Hermann A, Schmidt WG, Schwerdtfeger P. Resolving the Optical Spectrum of
    Water: Coordination and Electrostatic Effects. <i>Physical Review Letters</i>.
    2008;100(20). doi:<a href="https://doi.org/10.1103/physrevlett.100.207403">10.1103/physrevlett.100.207403</a>'
  apa: 'Hermann, A., Schmidt, W. G., &#38; Schwerdtfeger, P. (2008). Resolving the
    Optical Spectrum of Water: Coordination and Electrostatic Effects. <i>Physical
    Review Letters</i>, <i>100</i>(20). <a href="https://doi.org/10.1103/physrevlett.100.207403">https://doi.org/10.1103/physrevlett.100.207403</a>'
  bibtex: '@article{Hermann_Schmidt_Schwerdtfeger_2008, title={Resolving the Optical
    Spectrum of Water: Coordination and Electrostatic Effects}, volume={100}, DOI={<a
    href="https://doi.org/10.1103/physrevlett.100.207403">10.1103/physrevlett.100.207403</a>},
    number={20}, journal={Physical Review Letters}, author={Hermann, A. and Schmidt,
    Wolf Gero and Schwerdtfeger, P.}, year={2008} }'
  chicago: 'Hermann, A., Wolf Gero Schmidt, and P. Schwerdtfeger. “Resolving the Optical
    Spectrum of Water: Coordination and Electrostatic Effects.” <i>Physical Review
    Letters</i> 100, no. 20 (2008). <a href="https://doi.org/10.1103/physrevlett.100.207403">https://doi.org/10.1103/physrevlett.100.207403</a>.'
  ieee: 'A. Hermann, W. G. Schmidt, and P. Schwerdtfeger, “Resolving the Optical Spectrum
    of Water: Coordination and Electrostatic Effects,” <i>Physical Review Letters</i>,
    vol. 100, no. 20, 2008, doi: <a href="https://doi.org/10.1103/physrevlett.100.207403">10.1103/physrevlett.100.207403</a>.'
  mla: 'Hermann, A., et al. “Resolving the Optical Spectrum of Water: Coordination
    and Electrostatic Effects.” <i>Physical Review Letters</i>, vol. 100, no. 20,
    2008, doi:<a href="https://doi.org/10.1103/physrevlett.100.207403">10.1103/physrevlett.100.207403</a>.'
  short: A. Hermann, W.G. Schmidt, P. Schwerdtfeger, Physical Review Letters 100 (2008).
date_created: 2019-10-09T09:32:48Z
date_updated: 2025-12-05T13:08:01Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevlett.100.207403
intvolume: '       100'
issue: '20'
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: 'Resolving the Optical Spectrum of Water: Coordination and Electrostatic Effects'
type: journal_article
user_id: '16199'
volume: 100
year: '2008'
...
