---
_id: '13833'
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
citation:
  ama: Sanna S, Schmidt WG. Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory.
    <i>Physical Review B</i>. 2010;81(21). doi:<a href="https://doi.org/10.1103/physrevb.81.214116">10.1103/physrevb.81.214116</a>
  apa: Sanna, S., &#38; Schmidt, W. G. (2010). Lithium niobateX-cut,Y-cut, andZ-cut
    surfaces fromab initiotheory. <i>Physical Review B</i>, <i>81</i>(21). <a href="https://doi.org/10.1103/physrevb.81.214116">https://doi.org/10.1103/physrevb.81.214116</a>
  bibtex: '@article{Sanna_Schmidt_2010, title={Lithium niobateX-cut,Y-cut, andZ-cut
    surfaces fromab initiotheory}, volume={81}, DOI={<a href="https://doi.org/10.1103/physrevb.81.214116">10.1103/physrevb.81.214116</a>},
    number={21}, journal={Physical Review B}, author={Sanna, Simone and Schmidt, Wolf
    Gero}, year={2010} }'
  chicago: Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut
    Surfaces Fromab Initiotheory.” <i>Physical Review B</i> 81, no. 21 (2010). <a
    href="https://doi.org/10.1103/physrevb.81.214116">https://doi.org/10.1103/physrevb.81.214116</a>.
  ieee: 'S. Sanna and W. G. Schmidt, “Lithium niobateX-cut,Y-cut, andZ-cut surfaces
    fromab initiotheory,” <i>Physical Review B</i>, vol. 81, no. 21, 2010, doi: <a
    href="https://doi.org/10.1103/physrevb.81.214116">10.1103/physrevb.81.214116</a>.'
  mla: Sanna, Simone, and Wolf Gero Schmidt. “Lithium NiobateX-Cut,Y-Cut, AndZ-Cut
    Surfaces Fromab Initiotheory.” <i>Physical Review B</i>, vol. 81, no. 21, 2010,
    doi:<a href="https://doi.org/10.1103/physrevb.81.214116">10.1103/physrevb.81.214116</a>.
  short: S. Sanna, W.G. Schmidt, Physical Review B 81 (2010).
date_created: 2019-10-15T07:38:39Z
date_updated: 2025-12-16T07:47:47Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.81.214116
funded_apc: '1'
intvolume: '        81'
issue: '21'
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: Lithium niobateX-cut,Y-cut, andZ-cut surfaces fromab initiotheory
type: journal_article
user_id: '16199'
volume: 81
year: '2010'
...
---
_id: '13830'
author:
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: J.
  full_name: Wiebe, J.
  last_name: Wiebe
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: Rauls E, Wiebe J, Schmidt WG. Understanding the cubic AlN growth plane from
    first principles. <i>Journal of Crystal Growth</i>. 2010;312:2892-2895. doi:<a
    href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">10.1016/j.jcrysgro.2010.07.027</a>
  apa: Rauls, E., Wiebe, J., &#38; Schmidt, W. G. (2010). Understanding the cubic
    AlN growth plane from first principles. <i>Journal of Crystal Growth</i>, <i>312</i>,
    2892–2895. <a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">https://doi.org/10.1016/j.jcrysgro.2010.07.027</a>
  bibtex: '@article{Rauls_Wiebe_Schmidt_2010, title={Understanding the cubic AlN growth
    plane from first principles}, volume={312}, DOI={<a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">10.1016/j.jcrysgro.2010.07.027</a>},
    journal={Journal of Crystal Growth}, author={Rauls, E. and Wiebe, J. and Schmidt,
    Wolf Gero}, year={2010}, pages={2892–2895} }'
  chicago: 'Rauls, E., J. Wiebe, and Wolf Gero Schmidt. “Understanding the Cubic AlN
    Growth Plane from First Principles.” <i>Journal of Crystal Growth</i> 312 (2010):
    2892–95. <a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">https://doi.org/10.1016/j.jcrysgro.2010.07.027</a>.'
  ieee: 'E. Rauls, J. Wiebe, and W. G. Schmidt, “Understanding the cubic AlN growth
    plane from first principles,” <i>Journal of Crystal Growth</i>, vol. 312, pp.
    2892–2895, 2010, doi: <a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">10.1016/j.jcrysgro.2010.07.027</a>.'
  mla: Rauls, E., et al. “Understanding the Cubic AlN Growth Plane from First Principles.”
    <i>Journal of Crystal Growth</i>, vol. 312, 2010, pp. 2892–95, doi:<a href="https://doi.org/10.1016/j.jcrysgro.2010.07.027">10.1016/j.jcrysgro.2010.07.027</a>.
  short: E. Rauls, J. Wiebe, W.G. Schmidt, Journal of Crystal Growth 312 (2010) 2892–2895.
date_created: 2019-10-15T07:34:48Z
date_updated: 2025-12-16T07:49:01Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
doi: 10.1016/j.jcrysgro.2010.07.027
funded_apc: '1'
intvolume: '       312'
language:
- iso: eng
page: 2892-2895
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of Crystal Growth
publication_identifier:
  issn:
  - 0022-0248
publication_status: published
status: public
title: Understanding the cubic AlN growth plane from first principles
type: journal_article
user_id: '16199'
volume: 312
year: '2010'
...
---
_id: '13834'
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
citation:
  ama: Sanna S, Schmidt WG. GaN/LiNbO3 (0001) interface formation calculated from
    first-principles. <i>Applied Surface Science</i>. 2010;256:5740-5743. doi:<a href="https://doi.org/10.1016/j.apsusc.2010.03.098">10.1016/j.apsusc.2010.03.098</a>
  apa: Sanna, S., &#38; Schmidt, W. G. (2010). GaN/LiNbO3 (0001) interface formation
    calculated from first-principles. <i>Applied Surface Science</i>, <i>256</i>,
    5740–5743. <a href="https://doi.org/10.1016/j.apsusc.2010.03.098">https://doi.org/10.1016/j.apsusc.2010.03.098</a>
  bibtex: '@article{Sanna_Schmidt_2010, title={GaN/LiNbO3 (0001) interface formation
    calculated from first-principles}, volume={256}, DOI={<a href="https://doi.org/10.1016/j.apsusc.2010.03.098">10.1016/j.apsusc.2010.03.098</a>},
    journal={Applied Surface Science}, author={Sanna, Simone and Schmidt, Wolf Gero},
    year={2010}, pages={5740–5743} }'
  chicago: 'Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation
    Calculated from First-Principles.” <i>Applied Surface Science</i> 256 (2010):
    5740–43. <a href="https://doi.org/10.1016/j.apsusc.2010.03.098">https://doi.org/10.1016/j.apsusc.2010.03.098</a>.'
  ieee: 'S. Sanna and W. G. Schmidt, “GaN/LiNbO3 (0001) interface formation calculated
    from first-principles,” <i>Applied Surface Science</i>, vol. 256, pp. 5740–5743,
    2010, doi: <a href="https://doi.org/10.1016/j.apsusc.2010.03.098">10.1016/j.apsusc.2010.03.098</a>.'
  mla: Sanna, Simone, and Wolf Gero Schmidt. “GaN/LiNbO3 (0001) Interface Formation
    Calculated from First-Principles.” <i>Applied Surface Science</i>, vol. 256, 2010,
    pp. 5740–43, doi:<a href="https://doi.org/10.1016/j.apsusc.2010.03.098">10.1016/j.apsusc.2010.03.098</a>.
  short: S. Sanna, W.G. Schmidt, Applied Surface Science 256 (2010) 5740–5743.
date_created: 2019-10-15T07:40:10Z
date_updated: 2025-12-16T07:47:24Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.apsusc.2010.03.098
funded_apc: '1'
intvolume: '       256'
language:
- iso: eng
page: 5740-5743
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Applied Surface Science
publication_identifier:
  issn:
  - 0169-4332
publication_status: published
status: public
title: GaN/LiNbO3 (0001) interface formation calculated from first-principles
type: journal_article
user_id: '16199'
volume: 256
year: '2010'
...
---
_id: '13826'
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. Catalytic Action of a Cu(111) Surface on
    Tetraazaperopyrene Polymerization. <i>The Journal of Physical Chemistry Letters</i>.
    2010;1:3266-3270. doi:<a href="https://doi.org/10.1021/jz101389u">10.1021/jz101389u</a>
  apa: Blankenburg, S., Rauls, E., &#38; Schmidt, W. G. (2010). Catalytic Action of
    a Cu(111) Surface on Tetraazaperopyrene Polymerization. <i>The Journal of Physical
    Chemistry Letters</i>, <i>1</i>, 3266–3270. <a href="https://doi.org/10.1021/jz101389u">https://doi.org/10.1021/jz101389u</a>
  bibtex: '@article{Blankenburg_Rauls_Schmidt_2010, title={Catalytic Action of a Cu(111)
    Surface on Tetraazaperopyrene Polymerization}, volume={1}, DOI={<a href="https://doi.org/10.1021/jz101389u">10.1021/jz101389u</a>},
    journal={The Journal of Physical Chemistry Letters}, author={Blankenburg, S. and
    Rauls, E. and Schmidt, Wolf Gero}, year={2010}, pages={3266–3270} }'
  chicago: 'Blankenburg, S., E. Rauls, and Wolf Gero Schmidt. “Catalytic Action of
    a Cu(111) Surface on Tetraazaperopyrene Polymerization.” <i>The Journal of Physical
    Chemistry Letters</i> 1 (2010): 3266–70. <a href="https://doi.org/10.1021/jz101389u">https://doi.org/10.1021/jz101389u</a>.'
  ieee: 'S. Blankenburg, E. Rauls, and W. G. Schmidt, “Catalytic Action of a Cu(111)
    Surface on Tetraazaperopyrene Polymerization,” <i>The Journal of Physical Chemistry
    Letters</i>, vol. 1, pp. 3266–3270, 2010, doi: <a href="https://doi.org/10.1021/jz101389u">10.1021/jz101389u</a>.'
  mla: Blankenburg, S., et al. “Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene
    Polymerization.” <i>The Journal of Physical Chemistry Letters</i>, vol. 1, 2010,
    pp. 3266–70, doi:<a href="https://doi.org/10.1021/jz101389u">10.1021/jz101389u</a>.
  short: S. Blankenburg, E. Rauls, W.G. Schmidt, The Journal of Physical Chemistry
    Letters 1 (2010) 3266–3270.
date_created: 2019-10-15T07:24:15Z
date_updated: 2025-12-16T07:50:41Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/jz101389u
funded_apc: '1'
intvolume: '         1'
language:
- iso: eng
page: 3266-3270
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry Letters
publication_identifier:
  issn:
  - 1948-7185
publication_status: published
status: public
title: Catalytic Action of a Cu(111) Surface on Tetraazaperopyrene Polymerization
type: journal_article
user_id: '16199'
volume: 1
year: '2010'
...
---
_id: '13580'
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
- first_name: P.
  full_name: Thissen, P.
  last_name: Thissen
- first_name: Guido
  full_name: Grundmeier, Guido
  id: '194'
  last_name: Grundmeier
citation:
  ama: Wippermann S, Schmidt WG, Thissen P, Grundmeier G. Dissociative and molecular
    adsorption of water onα-Al2O3(0001). <i>physica status solidi (c)</i>. 2009;7(2):137-140.
    doi:<a href="https://doi.org/10.1002/pssc.200982423">10.1002/pssc.200982423</a>
  apa: Wippermann, S., Schmidt, W. G., Thissen, P., &#38; Grundmeier, G. (2009). Dissociative
    and molecular adsorption of water onα-Al2O3(0001). <i>Physica Status Solidi (c)</i>,
    <i>7</i>(2), 137–140. <a href="https://doi.org/10.1002/pssc.200982423">https://doi.org/10.1002/pssc.200982423</a>
  bibtex: '@article{Wippermann_Schmidt_Thissen_Grundmeier_2009, title={Dissociative
    and molecular adsorption of water onα-Al2O3(0001)}, volume={7}, DOI={<a href="https://doi.org/10.1002/pssc.200982423">10.1002/pssc.200982423</a>},
    number={2}, journal={physica status solidi (c)}, author={Wippermann, S. and Schmidt,
    Wolf Gero and Thissen, P. and Grundmeier, Guido}, year={2009}, pages={137–140}
    }'
  chicago: 'Wippermann, S., Wolf Gero Schmidt, P. Thissen, and Guido Grundmeier. “Dissociative
    and Molecular Adsorption of Water Onα-Al2O3(0001).” <i>Physica Status Solidi (c)</i>
    7, no. 2 (2009): 137–40. <a href="https://doi.org/10.1002/pssc.200982423">https://doi.org/10.1002/pssc.200982423</a>.'
  ieee: 'S. Wippermann, W. G. Schmidt, P. Thissen, and G. Grundmeier, “Dissociative
    and molecular adsorption of water onα-Al2O3(0001),” <i>physica status solidi (c)</i>,
    vol. 7, no. 2, pp. 137–140, 2009, doi: <a href="https://doi.org/10.1002/pssc.200982423">10.1002/pssc.200982423</a>.'
  mla: Wippermann, S., et al. “Dissociative and Molecular Adsorption of Water Onα-Al2O3(0001).”
    <i>Physica Status Solidi (c)</i>, vol. 7, no. 2, 2009, pp. 137–40, doi:<a href="https://doi.org/10.1002/pssc.200982423">10.1002/pssc.200982423</a>.
  short: S. Wippermann, W.G. Schmidt, P. Thissen, G. Grundmeier, Physica Status Solidi
    (c) 7 (2009) 137–140.
date_created: 2019-10-01T14:32:47Z
date_updated: 2025-12-05T10:51:06Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '302'
- _id: '35'
- _id: '27'
- _id: '230'
doi: 10.1002/pssc.200982423
intvolume: '         7'
issue: '2'
language:
- iso: eng
page: 137-140
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: Dissociative and molecular adsorption of water onα-Al2O3(0001)
type: journal_article
user_id: '16199'
volume: 7
year: '2009'
...
---
_id: '13583'
author:
- first_name: A.
  full_name: Scholle, A.
  last_name: Scholle
- first_name: S.
  full_name: Greulich-Weber, S.
  last_name: Greulich-Weber
- first_name: E.
  full_name: Rauls, E.
  last_name: Rauls
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
citation:
  ama: 'Scholle A, Greulich-Weber S, Rauls E, Schmidt WG, Gerstmann U. Vacancy clusters
    created via room temperature irradiation in 6H-SiC. <i>Physica B: Condensed Matter</i>.
    2009;404:4742-4744. doi:<a href="https://doi.org/10.1016/j.physb.2009.08.123">10.1016/j.physb.2009.08.123</a>'
  apa: 'Scholle, A., Greulich-Weber, S., Rauls, E., Schmidt, W. G., &#38; Gerstmann,
    U. (2009). Vacancy clusters created via room temperature irradiation in 6H-SiC.
    <i>Physica B: Condensed Matter</i>, <i>404</i>, 4742–4744. <a href="https://doi.org/10.1016/j.physb.2009.08.123">https://doi.org/10.1016/j.physb.2009.08.123</a>'
  bibtex: '@article{Scholle_Greulich-Weber_Rauls_Schmidt_Gerstmann_2009, title={Vacancy
    clusters created via room temperature irradiation in 6H-SiC}, volume={404}, DOI={<a
    href="https://doi.org/10.1016/j.physb.2009.08.123">10.1016/j.physb.2009.08.123</a>},
    journal={Physica B: Condensed Matter}, author={Scholle, A. and Greulich-Weber,
    S. and Rauls, E. and Schmidt, Wolf Gero and Gerstmann, Uwe}, year={2009}, pages={4742–4744}
    }'
  chicago: 'Scholle, A., S. Greulich-Weber, E. Rauls, Wolf Gero Schmidt, and Uwe Gerstmann.
    “Vacancy Clusters Created via Room Temperature Irradiation in 6H-SiC.” <i>Physica
    B: Condensed Matter</i> 404 (2009): 4742–44. <a href="https://doi.org/10.1016/j.physb.2009.08.123">https://doi.org/10.1016/j.physb.2009.08.123</a>.'
  ieee: 'A. Scholle, S. Greulich-Weber, E. Rauls, W. G. Schmidt, and U. Gerstmann,
    “Vacancy clusters created via room temperature irradiation in 6H-SiC,” <i>Physica
    B: Condensed Matter</i>, vol. 404, pp. 4742–4744, 2009, doi: <a href="https://doi.org/10.1016/j.physb.2009.08.123">10.1016/j.physb.2009.08.123</a>.'
  mla: 'Scholle, A., et al. “Vacancy Clusters Created via Room Temperature Irradiation
    in 6H-SiC.” <i>Physica B: Condensed Matter</i>, vol. 404, 2009, pp. 4742–44, doi:<a
    href="https://doi.org/10.1016/j.physb.2009.08.123">10.1016/j.physb.2009.08.123</a>.'
  short: 'A. Scholle, S. Greulich-Weber, E. Rauls, W.G. Schmidt, U. Gerstmann, Physica
    B: Condensed Matter 404 (2009) 4742–4744.'
date_created: 2019-10-01T14:39:39Z
date_updated: 2025-12-05T10:52:14Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '790'
- _id: '35'
- _id: '27'
- _id: '230'
doi: 10.1016/j.physb.2009.08.123
intvolume: '       404'
language:
- iso: eng
page: 4742-4744
project:
- _id: '52'
  name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Physica B: Condensed Matter'
publication_identifier:
  issn:
  - 0921-4526
publication_status: published
status: public
title: Vacancy clusters created via room temperature irradiation in 6H-SiC
type: journal_article
user_id: '16199'
volume: 404
year: '2009'
...
---
_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: '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'
...
