---
_id: '15867'
author:
- first_name: Raphael
full_name: Tautz, Raphael
last_name: Tautz
- first_name: Enrico
full_name: Da Como, Enrico
last_name: Da Como
- first_name: Christian
full_name: Wiebeler, Christian
last_name: Wiebeler
- first_name: Giancarlo
full_name: Soavi, Giancarlo
last_name: Soavi
- first_name: Ines
full_name: Dumsch, Ines
last_name: Dumsch
- first_name: Nils
full_name: Fröhlich, Nils
last_name: Fröhlich
- first_name: Giulia
full_name: Grancini, Giulia
last_name: Grancini
- first_name: Sybille
full_name: Allard, Sybille
last_name: Allard
- first_name: Ullrich
full_name: Scherf, Ullrich
last_name: Scherf
- first_name: Giulio
full_name: Cerullo, Giulio
last_name: Cerullo
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Jochen
full_name: Feldmann, Jochen
last_name: Feldmann
citation:
ama: 'Tautz R, Da Como E, Wiebeler C, et al. Charge Photogeneration in Donor–Acceptor
Conjugated Materials: Influence of Excess Excitation Energy and Chain Length.
Journal of the American Chemical Society. Published online 2013:4282-4290.
doi:10.1021/ja309252a'
apa: 'Tautz, R., Da Como, E., Wiebeler, C., Soavi, G., Dumsch, I., Fröhlich, N.,
Grancini, G., Allard, S., Scherf, U., Cerullo, G., Schumacher, S., & Feldmann,
J. (2013). Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence
of Excess Excitation Energy and Chain Length. Journal of the American Chemical
Society, 4282–4290. https://doi.org/10.1021/ja309252a'
bibtex: '@article{Tautz_Da Como_Wiebeler_Soavi_Dumsch_Fröhlich_Grancini_Allard_Scherf_Cerullo_et
al._2013, title={Charge Photogeneration in Donor–Acceptor Conjugated Materials:
Influence of Excess Excitation Energy and Chain Length}, DOI={10.1021/ja309252a},
journal={Journal of the American Chemical Society}, author={Tautz, Raphael and
Da Como, Enrico and Wiebeler, Christian and Soavi, Giancarlo and Dumsch, Ines
and Fröhlich, Nils and Grancini, Giulia and Allard, Sybille and Scherf, Ullrich
and Cerullo, Giulio and et al.}, year={2013}, pages={4282–4290} }'
chicago: 'Tautz, Raphael, Enrico Da Como, Christian Wiebeler, Giancarlo Soavi, Ines
Dumsch, Nils Fröhlich, Giulia Grancini, et al. “Charge Photogeneration in Donor–Acceptor
Conjugated Materials: Influence of Excess Excitation Energy and Chain Length.”
Journal of the American Chemical Society, 2013, 4282–90. https://doi.org/10.1021/ja309252a.'
ieee: 'R. Tautz et al., “Charge Photogeneration in Donor–Acceptor Conjugated
Materials: Influence of Excess Excitation Energy and Chain Length,” Journal
of the American Chemical Society, pp. 4282–4290, 2013, doi: 10.1021/ja309252a.'
mla: 'Tautz, Raphael, et al. “Charge Photogeneration in Donor–Acceptor Conjugated
Materials: Influence of Excess Excitation Energy and Chain Length.” Journal
of the American Chemical Society, 2013, pp. 4282–90, doi:10.1021/ja309252a.'
short: R. Tautz, E. Da Como, C. Wiebeler, G. Soavi, I. Dumsch, N. Fröhlich, G. Grancini,
S. Allard, U. Scherf, G. Cerullo, S. Schumacher, J. Feldmann, Journal of the American
Chemical Society (2013) 4282–4290.
date_created: 2020-02-10T12:01:26Z
date_updated: 2025-12-05T14:53:44Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '27'
doi: 10.1021/ja309252a
language:
- iso: eng
page: 4282-4290
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Journal of the American Chemical Society
publication_identifier:
issn:
- 0002-7863
- 1520-5126
publication_status: published
status: public
title: 'Charge Photogeneration in Donor–Acceptor Conjugated Materials: Influence of
Excess Excitation Energy and Chain Length'
type: journal_article
user_id: '16199'
year: '2013'
...
---
_id: '15866'
author:
- first_name: Vincenzo
full_name: Ardizzone, Vincenzo
last_name: Ardizzone
- first_name: Przemyslaw
full_name: Lewandowski, Przemyslaw
last_name: Lewandowski
- first_name: M. H.
full_name: Luk, M. H.
last_name: Luk
- first_name: Y. C.
full_name: Tse, Y. C.
last_name: Tse
- first_name: N. H.
full_name: Kwong, N. H.
last_name: Kwong
- first_name: Andreas
full_name: Lücke, Andreas
last_name: Lücke
- first_name: Marco
full_name: Abbarchi, Marco
last_name: Abbarchi
- first_name: Emmanuel
full_name: Baudin, Emmanuel
last_name: Baudin
- first_name: Elisabeth
full_name: Galopin, Elisabeth
last_name: Galopin
- first_name: Jacqueline
full_name: Bloch, Jacqueline
last_name: Bloch
- first_name: Aristide
full_name: Lemaitre, Aristide
last_name: Lemaitre
- first_name: P. T.
full_name: Leung, P. T.
last_name: Leung
- first_name: Philippe
full_name: Roussignol, Philippe
last_name: Roussignol
- first_name: Rolf
full_name: Binder, Rolf
last_name: Binder
- first_name: Jerome
full_name: Tignon, Jerome
last_name: Tignon
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: Ardizzone V, Lewandowski P, Luk MH, et al. Formation and control of Turing
patterns in a coherent quantum fluid. Scientific Reports. Published online
2013. doi:10.1038/srep03016
apa: Ardizzone, V., Lewandowski, P., Luk, M. H., Tse, Y. C., Kwong, N. H., Lücke,
A., Abbarchi, M., Baudin, E., Galopin, E., Bloch, J., Lemaitre, A., Leung, P.
T., Roussignol, P., Binder, R., Tignon, J., & Schumacher, S. (2013). Formation
and control of Turing patterns in a coherent quantum fluid. Scientific Reports.
https://doi.org/10.1038/srep03016
bibtex: '@article{Ardizzone_Lewandowski_Luk_Tse_Kwong_Lücke_Abbarchi_Baudin_Galopin_Bloch_et
al._2013, title={Formation and control of Turing patterns in a coherent quantum
fluid}, DOI={10.1038/srep03016},
journal={Scientific Reports}, author={Ardizzone, Vincenzo and Lewandowski, Przemyslaw
and Luk, M. H. and Tse, Y. C. and Kwong, N. H. and Lücke, Andreas and Abbarchi,
Marco and Baudin, Emmanuel and Galopin, Elisabeth and Bloch, Jacqueline and et
al.}, year={2013} }'
chicago: Ardizzone, Vincenzo, Przemyslaw Lewandowski, M. H. Luk, Y. C. Tse, N. H.
Kwong, Andreas Lücke, Marco Abbarchi, et al. “Formation and Control of Turing
Patterns in a Coherent Quantum Fluid.” Scientific Reports, 2013. https://doi.org/10.1038/srep03016.
ieee: 'V. Ardizzone et al., “Formation and control of Turing patterns in
a coherent quantum fluid,” Scientific Reports, 2013, doi: 10.1038/srep03016.'
mla: Ardizzone, Vincenzo, et al. “Formation and Control of Turing Patterns in a
Coherent Quantum Fluid.” Scientific Reports, 2013, doi:10.1038/srep03016.
short: V. Ardizzone, P. Lewandowski, M.H. Luk, Y.C. Tse, N.H. Kwong, A. Lücke, M.
Abbarchi, E. Baudin, E. Galopin, J. Bloch, A. Lemaitre, P.T. Leung, P. Roussignol,
R. Binder, J. Tignon, S. Schumacher, Scientific Reports (2013).
date_created: 2020-02-10T12:00:25Z
date_updated: 2025-12-05T14:53:15Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '27'
doi: 10.1038/srep03016
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Scientific Reports
publication_identifier:
issn:
- 2045-2322
publication_status: published
status: public
title: Formation and control of Turing patterns in a coherent quantum fluid
type: journal_article
user_id: '16199'
year: '2013'
...
---
_id: '15868'
author:
- first_name: M. H.
full_name: Luk, M. H.
last_name: Luk
- first_name: Y. C.
full_name: Tse, Y. C.
last_name: Tse
- first_name: N. H.
full_name: Kwong, N. H.
last_name: Kwong
- first_name: P. T.
full_name: Leung, P. T.
last_name: Leung
- first_name: Przemyslaw
full_name: Lewandowski, Przemyslaw
last_name: Lewandowski
- first_name: R.
full_name: Binder, R.
last_name: Binder
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
citation:
ama: 'Luk MH, Tse YC, Kwong NH, et al. Transverse optical instability patterns in
semiconductor microcavities: Polariton scattering and low-intensity all-optical
switching. Physical Review B. Published online 2013. doi:10.1103/physrevb.87.205307'
apa: 'Luk, M. H., Tse, Y. C., Kwong, N. H., Leung, P. T., Lewandowski, P., Binder,
R., & Schumacher, S. (2013). Transverse optical instability patterns in semiconductor
microcavities: Polariton scattering and low-intensity all-optical switching. Physical
Review B. https://doi.org/10.1103/physrevb.87.205307'
bibtex: '@article{Luk_Tse_Kwong_Leung_Lewandowski_Binder_Schumacher_2013, title={Transverse
optical instability patterns in semiconductor microcavities: Polariton scattering
and low-intensity all-optical switching}, DOI={10.1103/physrevb.87.205307},
journal={Physical Review B}, author={Luk, M. H. and Tse, Y. C. and Kwong, N. H.
and Leung, P. T. and Lewandowski, Przemyslaw and Binder, R. and Schumacher, Stefan},
year={2013} }'
chicago: 'Luk, M. H., Y. C. Tse, N. H. Kwong, P. T. Leung, Przemyslaw Lewandowski,
R. Binder, and Stefan Schumacher. “Transverse Optical Instability Patterns in
Semiconductor Microcavities: Polariton Scattering and Low-Intensity All-Optical
Switching.” Physical Review B, 2013. https://doi.org/10.1103/physrevb.87.205307.'
ieee: 'M. H. Luk et al., “Transverse optical instability patterns in semiconductor
microcavities: Polariton scattering and low-intensity all-optical switching,”
Physical Review B, 2013, doi: 10.1103/physrevb.87.205307.'
mla: 'Luk, M. H., et al. “Transverse Optical Instability Patterns in Semiconductor
Microcavities: Polariton Scattering and Low-Intensity All-Optical Switching.”
Physical Review B, 2013, doi:10.1103/physrevb.87.205307.'
short: M.H. Luk, Y.C. Tse, N.H. Kwong, P.T. Leung, P. Lewandowski, R. Binder, S.
Schumacher, Physical Review B (2013).
date_created: 2020-02-10T12:02:14Z
date_updated: 2025-12-05T14:54:10Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.87.205307
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: 'Transverse optical instability patterns in semiconductor microcavities: Polariton
scattering and low-intensity all-optical switching'
type: journal_article
user_id: '16199'
year: '2013'
...
---
_id: '15871'
abstract:
- lang: eng
text: We derive a transparent and easy-to-use analytic expression for the selection
rules and the optical dipole matrix elements for carbon nanotubes of arbitrary
chirality in the presence of axial magnetic fields using a single-orbital π-electron
tight-binding model. From this, we calculate the linear absorption spectrum for
arbitrary polarization directions of the incident light, providing insight into
all optically allowed transition. We show that the transverse absorption peaks
can be selectively excited with circularly polarized light and spectrally resolved
in an axial magnetic field.
article_number: '035429'
author:
- first_name: Hong
full_name: Liu, Hong
last_name: Liu
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
citation:
ama: Liu H, Schumacher S, Meier T. Selection rules and linear absorption spectra
of carbon nanotubes in axial magnetic fields. Physical Review B. 2013;88(3).
doi:10.1103/physrevb.88.035429
apa: Liu, H., Schumacher, S., & Meier, T. (2013). Selection rules and linear
absorption spectra of carbon nanotubes in axial magnetic fields. Physical Review
B, 88(3), Article 035429. https://doi.org/10.1103/physrevb.88.035429
bibtex: '@article{Liu_Schumacher_Meier_2013, title={Selection rules and linear absorption
spectra of carbon nanotubes in axial magnetic fields}, volume={88}, DOI={10.1103/physrevb.88.035429},
number={3035429}, journal={Physical Review B}, author={Liu, Hong and Schumacher,
Stefan and Meier, Torsten}, year={2013} }'
chicago: Liu, Hong, Stefan Schumacher, and Torsten Meier. “Selection Rules and Linear
Absorption Spectra of Carbon Nanotubes in Axial Magnetic Fields.” Physical
Review B 88, no. 3 (2013). https://doi.org/10.1103/physrevb.88.035429.
ieee: 'H. Liu, S. Schumacher, and T. Meier, “Selection rules and linear absorption
spectra of carbon nanotubes in axial magnetic fields,” Physical Review B,
vol. 88, no. 3, Art. no. 035429, 2013, doi: 10.1103/physrevb.88.035429.'
mla: Liu, Hong, et al. “Selection Rules and Linear Absorption Spectra of Carbon
Nanotubes in Axial Magnetic Fields.” Physical Review B, vol. 88, no. 3,
035429, 2013, doi:10.1103/physrevb.88.035429.
short: H. Liu, S. Schumacher, T. Meier, Physical Review B 88 (2013).
date_created: 2020-02-10T12:04:34Z
date_updated: 2025-12-05T14:55:03Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '297'
- _id: '230'
- _id: '35'
- _id: '27'
doi: 10.1103/physrevb.88.035429
intvolume: ' 88'
issue: '3'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: Selection rules and linear absorption spectra of carbon nanotubes in axial
magnetic fields
type: journal_article
user_id: '16199'
volume: 88
year: '2013'
...
---
_id: '15870'
author:
- first_name: Sanliang
full_name: Ling, Sanliang
last_name: Ling
- first_name: Stefan
full_name: Schumacher, Stefan
id: '27271'
last_name: Schumacher
orcid: 0000-0003-4042-4951
- first_name: Ian
full_name: Galbraith, Ian
last_name: Galbraith
- first_name: Martin J.
full_name: Paterson, Martin J.
last_name: Paterson
citation:
ama: 'Ling S, Schumacher S, Galbraith I, Paterson MJ. Excited-State Absorption of
Conjugated Polymers in the Near-Infrared and Visible: A Computational Study of
Oligofluorenes. The Journal of Physical Chemistry C. Published online 2013:6889-6895.
doi:10.1021/jp401359a'
apa: 'Ling, S., Schumacher, S., Galbraith, I., & Paterson, M. J. (2013). Excited-State
Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational
Study of Oligofluorenes. The Journal of Physical Chemistry C, 6889–6895.
https://doi.org/10.1021/jp401359a'
bibtex: '@article{Ling_Schumacher_Galbraith_Paterson_2013, title={Excited-State
Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational
Study of Oligofluorenes}, DOI={10.1021/jp401359a},
journal={The Journal of Physical Chemistry C}, author={Ling, Sanliang and Schumacher,
Stefan and Galbraith, Ian and Paterson, Martin J.}, year={2013}, pages={6889–6895}
}'
chicago: 'Ling, Sanliang, Stefan Schumacher, Ian Galbraith, and Martin J. Paterson.
“Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible:
A Computational Study of Oligofluorenes.” The Journal of Physical Chemistry
C, 2013, 6889–95. https://doi.org/10.1021/jp401359a.'
ieee: 'S. Ling, S. Schumacher, I. Galbraith, and M. J. Paterson, “Excited-State
Absorption of Conjugated Polymers in the Near-Infrared and Visible: A Computational
Study of Oligofluorenes,” The Journal of Physical Chemistry C, pp. 6889–6895,
2013, doi: 10.1021/jp401359a.'
mla: 'Ling, Sanliang, et al. “Excited-State Absorption of Conjugated Polymers in
the Near-Infrared and Visible: A Computational Study of Oligofluorenes.” The
Journal of Physical Chemistry C, 2013, pp. 6889–95, doi:10.1021/jp401359a.'
short: S. Ling, S. Schumacher, I. Galbraith, M.J. Paterson, The Journal of Physical
Chemistry C (2013) 6889–6895.
date_created: 2020-02-10T12:03:41Z
date_updated: 2025-12-05T14:54:35Z
department:
- _id: '15'
- _id: '170'
- _id: '297'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1021/jp401359a
language:
- iso: eng
page: 6889-6895
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: 'Excited-State Absorption of Conjugated Polymers in the Near-Infrared and Visible:
A Computational Study of Oligofluorenes'
type: journal_article
user_id: '16199'
year: '2013'
...
---
_id: '13819'
author:
- first_name: A.
full_name: Riefer, A.
last_name: Riefer
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Riefer A, Sanna S, Schmidt WG. LiNb1-xTaxO3Electronic Structure and Optical
Response fromFirst-PrinciplesCalculations. Ferroelectrics. 2013;447:78-85.
doi:10.1080/00150193.2013.821904
apa: Riefer, A., Sanna, S., & Schmidt, W. G. (2013). LiNb1-xTaxO3Electronic
Structure and Optical Response fromFirst-PrinciplesCalculations. Ferroelectrics,
447, 78–85. https://doi.org/10.1080/00150193.2013.821904
bibtex: '@article{Riefer_Sanna_Schmidt_2013, title={LiNb1-xTaxO3Electronic Structure
and Optical Response fromFirst-PrinciplesCalculations}, volume={447}, DOI={10.1080/00150193.2013.821904},
journal={Ferroelectrics}, author={Riefer, A. and Sanna, S. and Schmidt, Wolf Gero},
year={2013}, pages={78–85} }'
chicago: 'Riefer, A., S. Sanna, and Wolf Gero Schmidt. “LiNb1-XTaxO3Electronic Structure
and Optical Response FromFirst-PrinciplesCalculations.” Ferroelectrics
447 (2013): 78–85. https://doi.org/10.1080/00150193.2013.821904.'
ieee: 'A. Riefer, S. Sanna, and W. G. Schmidt, “LiNb1-xTaxO3Electronic Structure
and Optical Response fromFirst-PrinciplesCalculations,” Ferroelectrics,
vol. 447, pp. 78–85, 2013, doi: 10.1080/00150193.2013.821904.'
mla: Riefer, A., et al. “LiNb1-XTaxO3Electronic Structure and Optical Response FromFirst-PrinciplesCalculations.”
Ferroelectrics, vol. 447, 2013, pp. 78–85, doi:10.1080/00150193.2013.821904.
short: A. Riefer, S. Sanna, W.G. Schmidt, Ferroelectrics 447 (2013) 78–85.
date_created: 2019-10-15T06:45:01Z
date_updated: 2025-12-16T07:52:52Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1080/00150193.2013.821904
funded_apc: '1'
intvolume: ' 447'
language:
- iso: eng
page: 78-85
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Ferroelectrics
publication_identifier:
issn:
- 0015-0193
- 1563-5112
publication_status: published
status: public
title: LiNb1-xTaxO3Electronic Structure and Optical Response fromFirst-PrinciplesCalculations
type: journal_article
user_id: '16199'
volume: 447
year: '2013'
...
---
_id: '18475'
abstract:
- lang: eng
text: The frequency-dependent dielectric function and the second-order polarizability
tensor of ferroelectric LiNbO3 are calculated from first principles. The calculations
are based on the electronic structure obtained from density-functional theory.
The subsequent application of the GW approximation to account for quasiparticle
effects and the solution of the Bethe–Salpeter equation yield a dielectric function
for the stoichiometric material that slightly overestimates the absorption onset
and the oscillator strength in comparison with experimental measurements. Calculations
at the level of the independent-particle approximation indicate that these deficiencies
are at least partially related to the neglect of intrinsic defects typical for
the congruent material. The second-order polarizability calculated within the
independent-particle approximation predicts strong nonlinear coefficients for
photon energies above 1.5 eV. The comparison with measured data suggests that
self-energy effects improve the agreement between experiment and theory. The intrinsic
defects of congruent samples reduce the optical nonlinearities, in particular
for the 21 and 31 tensor components, further improving the agreement with measured
data.
author:
- first_name: Arthur
full_name: Riefer, Arthur
last_name: Riefer
- first_name: Martin
full_name: Rohrmüller, Martin
last_name: Rohrmüller
- first_name: Marc
full_name: Landmann, Marc
last_name: Landmann
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Eva
full_name: Rauls, Eva
last_name: Rauls
- first_name: Nora Jenny
full_name: Vollmers, Nora Jenny
last_name: Vollmers
- first_name: Rebecca
full_name: Hölscher, Rebecca
last_name: Hölscher
- first_name: Matthias
full_name: Witte, Matthias
last_name: Witte
- first_name: Yanlu
full_name: Li, Yanlu
last_name: Li
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Riefer A, Rohrmüller M, Landmann M, et al. Lithium niobate dielectric function
and second-order polarizability tensor from massively parallel ab initio calculations.
In: Nagel WE, Kröner DH, Resch MM, eds. High Performance Computing in Science
and Engineering ‘13. Transactions of the High Performance Computing Center,
Stuttgart. Springer; 2013:93-104. doi:10.1007/978-3-319-02165-2_8'
apa: Riefer, A., Rohrmüller, M., Landmann, M., Sanna, S., Rauls, E., Vollmers, N.
J., Hölscher, R., Witte, M., Li, Y., Gerstmann, U., Schindlmayr, A., & Schmidt,
W. G. (2013). Lithium niobate dielectric function and second-order polarizability
tensor from massively parallel ab initio calculations. In W. E. Nagel, D. H. Kröner,
& M. M. Resch (Eds.), High Performance Computing in Science and Engineering
‘13 (pp. 93–104). Springer. https://doi.org/10.1007/978-3-319-02165-2_8
bibtex: '@inbook{Riefer_Rohrmüller_Landmann_Sanna_Rauls_Vollmers_Hölscher_Witte_Li_Gerstmann_et
al._2013, place={Cham}, series={Transactions of the High Performance Computing
Center, Stuttgart}, title={Lithium niobate dielectric function and second-order
polarizability tensor from massively parallel ab initio calculations}, DOI={10.1007/978-3-319-02165-2_8},
booktitle={High Performance Computing in Science and Engineering ‘13}, publisher={Springer},
author={Riefer, Arthur and Rohrmüller, Martin and Landmann, Marc and Sanna, Simone
and Rauls, Eva and Vollmers, Nora Jenny and Hölscher, Rebecca and Witte, Matthias
and Li, Yanlu and Gerstmann, Uwe and et al.}, editor={Nagel, Wolfgang E. and Kröner,
Dietmar H. and Resch, Michael M.}, year={2013}, pages={93–104}, collection={Transactions
of the High Performance Computing Center, Stuttgart} }'
chicago: 'Riefer, Arthur, Martin Rohrmüller, Marc Landmann, Simone Sanna, Eva Rauls,
Nora Jenny Vollmers, Rebecca Hölscher, et al. “Lithium Niobate Dielectric Function
and Second-Order Polarizability Tensor from Massively Parallel Ab Initio Calculations.”
In High Performance Computing in Science and Engineering ‘13, edited by
Wolfgang E. Nagel, Dietmar H. Kröner, and Michael M. Resch, 93–104. Transactions
of the High Performance Computing Center, Stuttgart. Cham: Springer, 2013. https://doi.org/10.1007/978-3-319-02165-2_8.'
ieee: 'A. Riefer et al., “Lithium niobate dielectric function and second-order
polarizability tensor from massively parallel ab initio calculations,” in High
Performance Computing in Science and Engineering ‘13, W. E. Nagel, D. H. Kröner,
and M. M. Resch, Eds. Cham: Springer, 2013, pp. 93–104.'
mla: Riefer, Arthur, et al. “Lithium Niobate Dielectric Function and Second-Order
Polarizability Tensor from Massively Parallel Ab Initio Calculations.” High
Performance Computing in Science and Engineering ‘13, edited by Wolfgang E.
Nagel et al., Springer, 2013, pp. 93–104, doi:10.1007/978-3-319-02165-2_8.
short: 'A. Riefer, M. Rohrmüller, M. Landmann, S. Sanna, E. Rauls, N.J. Vollmers,
R. Hölscher, M. Witte, Y. Li, U. Gerstmann, A. Schindlmayr, W.G. Schmidt, in:
W.E. Nagel, D.H. Kröner, M.M. Resch (Eds.), High Performance Computing in Science
and Engineering ‘13, Springer, Cham, 2013, pp. 93–104.'
date_created: 2020-08-27T21:48:43Z
date_updated: 2025-12-16T08:07:02Z
ddc:
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- _id: '27'
doi: 10.1007/978-3-319-02165-2_8
editor:
- first_name: Wolfgang E.
full_name: Nagel, Wolfgang E.
last_name: Nagel
- first_name: Dietmar H.
full_name: Kröner, Dietmar H.
last_name: Kröner
- first_name: Michael M.
full_name: Resch, Michael M.
last_name: Resch
external_id:
isi:
- '000360004100009'
file:
- access_level: closed
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T15:34:44Z
date_updated: 2020-08-30T14:57:36Z
description: © 2013 Springer International Publishing, Switzerland
file_id: '18586'
file_name: Riefer2013_Chapter_LithiumNiobateDielectricFuncti.pdf
file_size: 517819
relation: main_file
title: Lithium niobate dielectric function and second-order polarizability tensor
from massively parallel ab initio calculations
file_date_updated: 2020-08-30T14:57:36Z
has_accepted_license: '1'
isi: '1'
language:
- iso: eng
page: 93-104
place: Cham
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: High Performance Computing in Science and Engineering ‘13
publication_identifier:
eisbn:
- 978-3-319-02165-2
isbn:
- 978-3-319-02164-5
publication_status: published
publisher: Springer
quality_controlled: '1'
series_title: Transactions of the High Performance Computing Center, Stuttgart
status: public
title: Lithium niobate dielectric function and second-order polarizability tensor
from massively parallel ab initio calculations
type: book_chapter
user_id: '16199'
year: '2013'
...
---
_id: '15985'
author:
- first_name: Corin
full_name: Reuter, Corin
last_name: Reuter
- first_name: Meike
full_name: Frantz, Meike
last_name: Frantz
- first_name: Christian
full_name: Lauter, Christian
last_name: Lauter
- first_name: Holger
full_name: Block, Holger
last_name: Block
- first_name: Thomas
full_name: Tröster, Thomas
id: '553'
last_name: Tröster
citation:
ama: 'Reuter C, Frantz M, Lauter C, Block H, Tröster T. Simulation and testing of
hybrid structures consisting of press-hardened steel and CFRP. In: ; 2012.'
apa: Reuter, C., Frantz, M., Lauter, C., Block, H., & Tröster, T. (2012). Simulation
and testing of hybrid structures consisting of press-hardened steel and CFRP.
Presented at the 1st International Conference on Mechanics of Nano, Micro and
Macro Composite Structures (ICNMMCS), Turin, Italy.
bibtex: '@inproceedings{Reuter_Frantz_Lauter_Block_Tröster_2012, title={Simulation
and testing of hybrid structures consisting of press-hardened steel and CFRP},
author={Reuter, Corin and Frantz, Meike and Lauter, Christian and Block, Holger
and Tröster, Thomas}, year={2012} }'
chicago: Reuter, Corin, Meike Frantz, Christian Lauter, Holger Block, and Thomas
Tröster. “Simulation and Testing of Hybrid Structures Consisting of Press-Hardened
Steel and CFRP,” 2012.
ieee: C. Reuter, M. Frantz, C. Lauter, H. Block, and T. Tröster, “Simulation and
testing of hybrid structures consisting of press-hardened steel and CFRP,” presented
at the 1st International Conference on Mechanics of Nano, Micro and Macro Composite
Structures (ICNMMCS), Turin, Italy, 2012.
mla: Reuter, Corin, et al. Simulation and Testing of Hybrid Structures Consisting
of Press-Hardened Steel and CFRP. 2012.
short: 'C. Reuter, M. Frantz, C. Lauter, H. Block, T. Tröster, in: 2012.'
conference:
end_date: 2012-06-20
location: Turin, Italy
name: 1st International Conference on Mechanics of Nano, Micro and Macro Composite
Structures (ICNMMCS)
start_date: 2012-06-18
date_created: 2020-02-24T08:48:14Z
date_updated: 2022-01-06T06:52:41Z
department:
- _id: '9'
- _id: '321'
- _id: '149'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
status: public
title: Simulation and testing of hybrid structures consisting of press-hardened steel
and CFRP
type: conference
user_id: '72008'
year: '2012'
...
---
_id: '15987'
author:
- first_name: Christian
full_name: Lauter, Christian
last_name: Lauter
- first_name: Meike
full_name: Frantz, Meike
last_name: Frantz
- first_name: J. P.
full_name: Kohler, J. P.
last_name: Kohler
- first_name: Thomas
full_name: Tröster, Thomas
id: '553'
last_name: Tröster
citation:
ama: 'Lauter C, Frantz M, Kohler JP, Tröster T. Crash tests of hybrid structures
consisting of sheet metal and local CFRP reinforcements. In: ; 2012.'
apa: Lauter, C., Frantz, M., Kohler, J. P., & Tröster, T. (2012). Crash tests
of hybrid structures consisting of sheet metal and local CFRP reinforcements.
Presented at the 15th European Conference on Composite Materials (ECCM15), Venice,
Italy.
bibtex: '@inproceedings{Lauter_Frantz_Kohler_Tröster_2012, title={Crash tests of
hybrid structures consisting of sheet metal and local CFRP reinforcements}, author={Lauter,
Christian and Frantz, Meike and Kohler, J. P. and Tröster, Thomas}, year={2012}
}'
chicago: Lauter, Christian, Meike Frantz, J. P. Kohler, and Thomas Tröster. “Crash
Tests of Hybrid Structures Consisting of Sheet Metal and Local CFRP Reinforcements,”
2012.
ieee: C. Lauter, M. Frantz, J. P. Kohler, and T. Tröster, “Crash tests of hybrid
structures consisting of sheet metal and local CFRP reinforcements,” presented
at the 15th European Conference on Composite Materials (ECCM15), Venice, Italy,
2012.
mla: Lauter, Christian, et al. Crash Tests of Hybrid Structures Consisting of
Sheet Metal and Local CFRP Reinforcements. 2012.
short: 'C. Lauter, M. Frantz, J.P. Kohler, T. Tröster, in: 2012.'
conference:
end_date: 2012-06-28
location: Venice, Italy
name: 15th European Conference on Composite Materials (ECCM15)
start_date: 2012-06-24
date_created: 2020-02-24T08:58:53Z
date_updated: 2022-01-06T06:52:41Z
department:
- _id: '9'
- _id: '321'
- _id: '149'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
status: public
title: Crash tests of hybrid structures consisting of sheet metal and local CFRP reinforcements
type: conference
user_id: '72008'
year: '2012'
...
---
_id: '22953'
abstract:
- lang: eng
text: The generation of specific high harmonics for an optical two-level system
is elucidated. The desired emitted radiation can be induced by a carefully designed
excitation pulse, which is found by a multiparameter optimization procedure. The
presented mechanism can also be applied to semiconductor structures for which
the calculations result in much higher emission frequencies. The optimization
procedure is either performed using a genetic algorithm or a rigorous mathematical
optimization technique.
article_number: A36
author:
- first_name: Matthias
full_name: Reichelt, Matthias
id: '138'
last_name: Reichelt
- first_name: Andrea
full_name: Walther, Andrea
last_name: Walther
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
citation:
ama: Reichelt M, Walther A, Meier T. Tailoring the high-harmonic emission in two-level
systems and semiconductors by pulse shaping. Journal of the Optical Society
of America B. 2012;29(2). doi:10.1364/josab.29.000a36
apa: Reichelt, M., Walther, A., & Meier, T. (2012). Tailoring the high-harmonic
emission in two-level systems and semiconductors by pulse shaping. Journal
of the Optical Society of America B, 29(2), Article A36. https://doi.org/10.1364/josab.29.000a36
bibtex: '@article{Reichelt_Walther_Meier_2012, title={Tailoring the high-harmonic
emission in two-level systems and semiconductors by pulse shaping}, volume={29},
DOI={10.1364/josab.29.000a36},
number={2A36}, journal={Journal of the Optical Society of America B}, author={Reichelt,
Matthias and Walther, Andrea and Meier, Torsten}, year={2012} }'
chicago: Reichelt, Matthias, Andrea Walther, and Torsten Meier. “Tailoring the High-Harmonic
Emission in Two-Level Systems and Semiconductors by Pulse Shaping.” Journal
of the Optical Society of America B 29, no. 2 (2012). https://doi.org/10.1364/josab.29.000a36.
ieee: 'M. Reichelt, A. Walther, and T. Meier, “Tailoring the high-harmonic emission
in two-level systems and semiconductors by pulse shaping,” Journal of the Optical
Society of America B, vol. 29, no. 2, Art. no. A36, 2012, doi: 10.1364/josab.29.000a36.'
mla: Reichelt, Matthias, et al. “Tailoring the High-Harmonic Emission in Two-Level
Systems and Semiconductors by Pulse Shaping.” Journal of the Optical Society
of America B, vol. 29, no. 2, A36, 2012, doi:10.1364/josab.29.000a36.
short: M. Reichelt, A. Walther, T. Meier, Journal of the Optical Society of America
B 29 (2012).
date_created: 2021-08-06T09:00:31Z
date_updated: 2023-04-16T22:31:17Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '230'
doi: 10.1364/josab.29.000a36
intvolume: ' 29'
issue: '2'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Journal of the Optical Society of America B
publication_identifier:
issn:
- 0740-3224
- 1520-8540
publication_status: published
status: public
title: Tailoring the high-harmonic emission in two-level systems and semiconductors
by pulse shaping
type: journal_article
user_id: '49063'
volume: 29
year: '2012'
...
---
_id: '15986'
author:
- first_name: B.
full_name: Gorny, B.
last_name: Gorny
- first_name: Frederik
full_name: Hankeln, Frederik
id: '6695'
last_name: Hankeln
- first_name: Christian
full_name: Lauter, Christian
last_name: Lauter
- first_name: H. C.
full_name: Schmidt, H. C.
last_name: Schmidt
- first_name: U.
full_name: Damerow, U.
last_name: Damerow
- first_name: Rolf
full_name: Mahnken, Rolf
id: '335'
last_name: Mahnken
- first_name: H. J.
full_name: Maier, H. J.
last_name: Maier
- first_name: Thomas
full_name: Tröster, Thomas
id: '553'
last_name: Tröster
- first_name: Werner
full_name: Homberg, Werner
id: '233'
last_name: Homberg
citation:
ama: 'Gorny B, Hankeln F, Lauter C, et al. Simulation and manufacturing of deep
drawn parts reinforced by carbon fibre prepregs. In: ; 2012.'
apa: Gorny, B., Hankeln, F., Lauter, C., Schmidt, H. C., Damerow, U., Mahnken, R.,
Maier, H. J., Tröster, T., & Homberg, W. (2012). Simulation and manufacturing
of deep drawn parts reinforced by carbon fibre prepregs. 1st International
Conference on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS),
Turin, Italy.
bibtex: '@inproceedings{Gorny_Hankeln_Lauter_Schmidt_Damerow_Mahnken_Maier_Tröster_Homberg_2012,
title={Simulation and manufacturing of deep drawn parts reinforced by carbon fibre
prepregs}, author={Gorny, B. and Hankeln, Frederik and Lauter, Christian and Schmidt,
H. C. and Damerow, U. and Mahnken, Rolf and Maier, H. J. and Tröster, Thomas and
Homberg, Werner}, year={2012} }'
chicago: Gorny, B., Frederik Hankeln, Christian Lauter, H. C. Schmidt, U. Damerow,
Rolf Mahnken, H. J. Maier, Thomas Tröster, and Werner Homberg. “Simulation and
Manufacturing of Deep Drawn Parts Reinforced by Carbon Fibre Prepregs,” 2012.
ieee: B. Gorny et al., “Simulation and manufacturing of deep drawn parts
reinforced by carbon fibre prepregs,” presented at the 1st International Conference
on Mechanics of Nano, Micro and Macro Composite Structures (ICNMMCS), Turin, Italy,
2012.
mla: Gorny, B., et al. Simulation and Manufacturing of Deep Drawn Parts Reinforced
by Carbon Fibre Prepregs. 2012.
short: 'B. Gorny, F. Hankeln, C. Lauter, H.C. Schmidt, U. Damerow, R. Mahnken, H.J.
Maier, T. Tröster, W. Homberg, in: 2012.'
conference:
end_date: 2012-06-20
location: Turin, Italy
name: 1st International Conference on Mechanics of Nano, Micro and Macro Composite
Structures (ICNMMCS)
start_date: 2012-06-18
date_created: 2020-02-24T08:55:25Z
date_updated: 2023-05-24T08:14:45Z
department:
- _id: '9'
- _id: '321'
- _id: '149'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
status: public
title: Simulation and manufacturing of deep drawn parts reinforced by carbon fibre
prepregs
type: conference
user_id: '72008'
year: '2012'
...
---
_id: '13546'
author:
- first_name: A.
full_name: Riefer, A.
last_name: Riefer
- 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: J.
full_name: Eberhard, J.
last_name: Eberhard
- first_name: I.
full_name: Stoll, I.
last_name: Stoll
- first_name: J.
full_name: Mattay, J.
last_name: Mattay
citation:
ama: 'Riefer A, Rauls E, Schmidt WG, Eberhard J, Stoll I, Mattay J. 2-Aminopyrimidine-silver(I)
based organic semiconductors: Electronic structure and optical response. Physical
Review B. 2012;85(16). doi:10.1103/physrevb.85.165202'
apa: 'Riefer, A., Rauls, E., Schmidt, W. G., Eberhard, J., Stoll, I., & Mattay,
J. (2012). 2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic
structure and optical response. Physical Review B, 85(16). https://doi.org/10.1103/physrevb.85.165202'
bibtex: '@article{Riefer_Rauls_Schmidt_Eberhard_Stoll_Mattay_2012, title={2-Aminopyrimidine-silver(I)
based organic semiconductors: Electronic structure and optical response}, volume={85},
DOI={10.1103/physrevb.85.165202},
number={16}, journal={Physical Review B}, author={Riefer, A. and Rauls, E. and
Schmidt, Wolf Gero and Eberhard, J. and Stoll, I. and Mattay, J.}, year={2012}
}'
chicago: 'Riefer, A., E. Rauls, Wolf Gero Schmidt, J. Eberhard, I. Stoll, and J.
Mattay. “2-Aminopyrimidine-Silver(I) Based Organic Semiconductors: Electronic
Structure and Optical Response.” Physical Review B 85, no. 16 (2012). https://doi.org/10.1103/physrevb.85.165202.'
ieee: 'A. Riefer, E. Rauls, W. G. Schmidt, J. Eberhard, I. Stoll, and J. Mattay,
“2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure
and optical response,” Physical Review B, vol. 85, no. 16, 2012, doi: 10.1103/physrevb.85.165202.'
mla: 'Riefer, A., et al. “2-Aminopyrimidine-Silver(I) Based Organic Semiconductors:
Electronic Structure and Optical Response.” Physical Review B, vol. 85,
no. 16, 2012, doi:10.1103/physrevb.85.165202.'
short: A. Riefer, E. Rauls, W.G. Schmidt, J. Eberhard, I. Stoll, J. Mattay, Physical
Review B 85 (2012).
date_created: 2019-09-30T14:53:08Z
date_updated: 2025-12-05T10:45:11Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.85.165202
intvolume: ' 85'
issue: '16'
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: '2-Aminopyrimidine-silver(I) based organic semiconductors: Electronic structure
and optical response'
type: journal_article
user_id: '16199'
volume: 85
year: '2012'
...
---
_id: '13545'
article_number: '195503'
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. The electronic structure and optical response
of rutile, anatase and brookite TiO2. Journal of Physics: Condensed Matter.
2012;24. doi:10.1088/0953-8984/24/19/195503'
apa: 'Landmann, M., Rauls, E., & Schmidt, W. G. (2012). The electronic structure
and optical response of rutile, anatase and brookite TiO2. Journal of Physics:
Condensed Matter, 24, Article 195503. https://doi.org/10.1088/0953-8984/24/19/195503'
bibtex: '@article{Landmann_Rauls_Schmidt_2012, title={The electronic structure and
optical response of rutile, anatase and brookite TiO2}, volume={24}, DOI={10.1088/0953-8984/24/19/195503},
number={195503}, journal={Journal of Physics: Condensed Matter}, author={Landmann,
M and Rauls, E and Schmidt, Wolf Gero}, year={2012} }'
chicago: 'Landmann, M, E Rauls, and Wolf Gero Schmidt. “The Electronic Structure
and Optical Response of Rutile, Anatase and Brookite TiO2.” Journal of Physics:
Condensed Matter 24 (2012). https://doi.org/10.1088/0953-8984/24/19/195503.'
ieee: 'M. Landmann, E. Rauls, and W. G. Schmidt, “The electronic structure and optical
response of rutile, anatase and brookite TiO2,” Journal of Physics: Condensed
Matter, vol. 24, Art. no. 195503, 2012, doi: 10.1088/0953-8984/24/19/195503.'
mla: 'Landmann, M., et al. “The Electronic Structure and Optical Response of Rutile,
Anatase and Brookite TiO2.” Journal of Physics: Condensed Matter, vol.
24, 195503, 2012, doi:10.1088/0953-8984/24/19/195503.'
short: 'M. Landmann, E. Rauls, W.G. Schmidt, Journal of Physics: Condensed Matter
24 (2012).'
date_created: 2019-09-30T14:51:40Z
date_updated: 2025-12-05T10:45:31Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1088/0953-8984/24/19/195503
intvolume: ' 24'
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: The electronic structure and optical response of rutile, anatase and brookite
TiO2
type: journal_article
user_id: '16199'
volume: 24
year: '2012'
...
---
_id: '13548'
author:
- first_name: Peter
full_name: Thissen, Peter
last_name: Thissen
- first_name: Vera
full_name: Thissen, Vera
last_name: Thissen
- first_name: Stefan
full_name: Wippermann, Stefan
last_name: Wippermann
- first_name: Yves J.
full_name: Chabal, Yves J.
last_name: Chabal
- first_name: Guido
full_name: Grundmeier, Guido
id: '194'
last_name: Grundmeier
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Thissen P, Thissen V, Wippermann S, Chabal YJ, Grundmeier G, Schmidt WG. pH-dependent
structure and energetics of H2O/MgO(100). Surface Science. 2012;606:902-907.
doi:10.1016/j.susc.2012.01.018
apa: Thissen, P., Thissen, V., Wippermann, S., Chabal, Y. J., Grundmeier, G., &
Schmidt, W. G. (2012). pH-dependent structure and energetics of H2O/MgO(100).
Surface Science, 606, 902–907. https://doi.org/10.1016/j.susc.2012.01.018
bibtex: '@article{Thissen_Thissen_Wippermann_Chabal_Grundmeier_Schmidt_2012, title={pH-dependent
structure and energetics of H2O/MgO(100)}, volume={606}, DOI={10.1016/j.susc.2012.01.018},
journal={Surface Science}, author={Thissen, Peter and Thissen, Vera and Wippermann,
Stefan and Chabal, Yves J. and Grundmeier, Guido and Schmidt, Wolf Gero}, year={2012},
pages={902–907} }'
chicago: 'Thissen, Peter, Vera Thissen, Stefan Wippermann, Yves J. Chabal, Guido
Grundmeier, and Wolf Gero Schmidt. “PH-Dependent Structure and Energetics of H2O/MgO(100).”
Surface Science 606 (2012): 902–7. https://doi.org/10.1016/j.susc.2012.01.018.'
ieee: 'P. Thissen, V. Thissen, S. Wippermann, Y. J. Chabal, G. Grundmeier, and W.
G. Schmidt, “pH-dependent structure and energetics of H2O/MgO(100),” Surface
Science, vol. 606, pp. 902–907, 2012, doi: 10.1016/j.susc.2012.01.018.'
mla: Thissen, Peter, et al. “PH-Dependent Structure and Energetics of H2O/MgO(100).”
Surface Science, vol. 606, 2012, pp. 902–07, doi:10.1016/j.susc.2012.01.018.
short: P. Thissen, V. Thissen, S. Wippermann, Y.J. Chabal, G. Grundmeier, W.G. Schmidt,
Surface Science 606 (2012) 902–907.
date_created: 2019-09-30T14:54:38Z
date_updated: 2025-12-05T10:44:50Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '2'
- _id: '165'
- _id: '302'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.susc.2012.01.018
intvolume: ' 606'
language:
- iso: eng
page: 902-907
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Surface Science
publication_identifier:
issn:
- 0039-6028
publication_status: published
status: public
title: pH-dependent structure and energetics of H2O/MgO(100)
type: journal_article
user_id: '16199'
volume: 606
year: '2012'
...
---
_id: '13543'
author:
- first_name: E.
full_name: Rauls, E.
last_name: Rauls
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: T.
full_name: Pertram, T.
last_name: Pertram
- first_name: K.
full_name: Wandelt, K.
last_name: Wandelt
citation:
ama: Rauls E, Schmidt WG, Pertram T, Wandelt K. Interplay between metal-free phthalocyanine
molecules and Au(110) substrates. Surface Science. 2012;606:1120-1125.
doi:10.1016/j.susc.2012.03.010
apa: Rauls, E., Schmidt, W. G., Pertram, T., & Wandelt, K. (2012). Interplay
between metal-free phthalocyanine molecules and Au(110) substrates. Surface
Science, 606, 1120–1125. https://doi.org/10.1016/j.susc.2012.03.010
bibtex: '@article{Rauls_Schmidt_Pertram_Wandelt_2012, title={Interplay between metal-free
phthalocyanine molecules and Au(110) substrates}, volume={606}, DOI={10.1016/j.susc.2012.03.010},
journal={Surface Science}, author={Rauls, E. and Schmidt, Wolf Gero and Pertram,
T. and Wandelt, K.}, year={2012}, pages={1120–1125} }'
chicago: 'Rauls, E., Wolf Gero Schmidt, T. Pertram, and K. Wandelt. “Interplay between
Metal-Free Phthalocyanine Molecules and Au(110) Substrates.” Surface Science
606 (2012): 1120–25. https://doi.org/10.1016/j.susc.2012.03.010.'
ieee: 'E. Rauls, W. G. Schmidt, T. Pertram, and K. Wandelt, “Interplay between metal-free
phthalocyanine molecules and Au(110) substrates,” Surface Science, vol.
606, pp. 1120–1125, 2012, doi: 10.1016/j.susc.2012.03.010.'
mla: Rauls, E., et al. “Interplay between Metal-Free Phthalocyanine Molecules and
Au(110) Substrates.” Surface Science, vol. 606, 2012, pp. 1120–25, doi:10.1016/j.susc.2012.03.010.
short: E. Rauls, W.G. Schmidt, T. Pertram, K. Wandelt, Surface Science 606 (2012)
1120–1125.
date_created: 2019-09-30T14:47:52Z
date_updated: 2025-12-05T10:45:51Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1016/j.susc.2012.03.010
intvolume: ' 606'
language:
- iso: eng
page: 1120-1125
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Surface Science
publication_identifier:
issn:
- 0039-6028
publication_status: published
status: public
title: Interplay between metal-free phthalocyanine molecules and Au(110) substrates
type: journal_article
user_id: '16199'
volume: 606
year: '2012'
...
---
_id: '13560'
author:
- first_name: R.
full_name: Hölscher, R.
last_name: Hölscher
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Hölscher R, Sanna S, Schmidt WG. Adsorption of OH and H at the LiNbO3(0001)
surface. physica status solidi (c). 2012;9(6):1361-1365. doi:10.1002/pssc.201100534
apa: Hölscher, R., Sanna, S., & Schmidt, W. G. (2012). Adsorption of OH and
H at the LiNbO3(0001) surface. Physica Status Solidi (c), 9(6),
1361–1365. https://doi.org/10.1002/pssc.201100534
bibtex: '@article{Hölscher_Sanna_Schmidt_2012, title={Adsorption of OH and H at
the LiNbO3(0001) surface}, volume={9}, DOI={10.1002/pssc.201100534},
number={6}, journal={physica status solidi (c)}, author={Hölscher, R. and Sanna,
S. and Schmidt, Wolf Gero}, year={2012}, pages={1361–1365} }'
chicago: 'Hölscher, R., S. Sanna, and Wolf Gero Schmidt. “Adsorption of OH and H
at the LiNbO3(0001) Surface.” Physica Status Solidi (c) 9, no. 6 (2012):
1361–65. https://doi.org/10.1002/pssc.201100534.'
ieee: 'R. Hölscher, S. Sanna, and W. G. Schmidt, “Adsorption of OH and H at the
LiNbO3(0001) surface,” physica status solidi (c), vol. 9, no. 6, pp. 1361–1365,
2012, doi: 10.1002/pssc.201100534.'
mla: Hölscher, R., et al. “Adsorption of OH and H at the LiNbO3(0001) Surface.”
Physica Status Solidi (c), vol. 9, no. 6, 2012, pp. 1361–65, doi:10.1002/pssc.201100534.
short: R. Hölscher, S. Sanna, W.G. Schmidt, Physica Status Solidi (c) 9 (2012) 1361–1365.
date_created: 2019-10-01T08:46:37Z
date_updated: 2025-12-05T10:44:11Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1002/pssc.201100534
intvolume: ' 9'
issue: '6'
language:
- iso: eng
page: 1361-1365
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: physica status solidi (c)
publication_identifier:
issn:
- 1862-6351
publication_status: published
status: public
title: Adsorption of OH and H at the LiNbO3(0001) surface
type: journal_article
user_id: '16199'
volume: 9
year: '2012'
...
---
_id: '13539'
author:
- first_name: S.
full_name: Rode, S.
last_name: Rode
- first_name: R.
full_name: Hölscher, R.
last_name: Hölscher
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
- first_name: S.
full_name: Klassen, S.
last_name: Klassen
- first_name: K.
full_name: Kobayashi, K.
last_name: Kobayashi
- first_name: H.
full_name: Yamada, H.
last_name: Yamada
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: A.
full_name: Kühnle, A.
last_name: Kühnle
citation:
ama: Rode S, Hölscher R, Sanna S, et al. Atomic-resolution imaging of the polar
(0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force
microscopy. Physical Review B. 2012;86(7). doi:10.1103/physrevb.86.075468
apa: Rode, S., Hölscher, R., Sanna, S., Klassen, S., Kobayashi, K., Yamada, H.,
Schmidt, W. G., & Kühnle, A. (2012). Atomic-resolution imaging of the polar
(0001¯) surface of LiNbO3in aqueous solution by frequency modulation atomic force
microscopy. Physical Review B, 86(7). https://doi.org/10.1103/physrevb.86.075468
bibtex: '@article{Rode_Hölscher_Sanna_Klassen_Kobayashi_Yamada_Schmidt_Kühnle_2012,
title={Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous
solution by frequency modulation atomic force microscopy}, volume={86}, DOI={10.1103/physrevb.86.075468},
number={7}, journal={Physical Review B}, author={Rode, S. and Hölscher, R. and
Sanna, S. and Klassen, S. and Kobayashi, K. and Yamada, H. and Schmidt, Wolf Gero
and Kühnle, A.}, year={2012} }'
chicago: Rode, S., R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, Wolf
Gero Schmidt, and A. Kühnle. “Atomic-Resolution Imaging of the Polar (0001¯) Surface
of LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.”
Physical Review B 86, no. 7 (2012). https://doi.org/10.1103/physrevb.86.075468.
ieee: 'S. Rode et al., “Atomic-resolution imaging of the polar (0001¯) surface
of LiNbO3in aqueous solution by frequency modulation atomic force microscopy,”
Physical Review B, vol. 86, no. 7, 2012, doi: 10.1103/physrevb.86.075468.'
mla: Rode, S., et al. “Atomic-Resolution Imaging of the Polar (0001¯) Surface of
LiNbO3in Aqueous Solution by Frequency Modulation Atomic Force Microscopy.” Physical
Review B, vol. 86, no. 7, 2012, doi:10.1103/physrevb.86.075468.
short: S. Rode, R. Hölscher, S. Sanna, S. Klassen, K. Kobayashi, H. Yamada, W.G.
Schmidt, A. Kühnle, Physical Review B 86 (2012).
date_created: 2019-09-30T14:41:52Z
date_updated: 2025-12-05T10:46:56Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.86.075468
intvolume: ' 86'
issue: '7'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: Atomic-resolution imaging of the polar (0001¯) surface of LiNbO3in aqueous
solution by frequency modulation atomic force microscopy
type: journal_article
user_id: '16199'
volume: 86
year: '2012'
...
---
_id: '13534'
author:
- first_name: Simone
full_name: Wall, Simone
last_name: Wall
- first_name: Boris
full_name: Krenzer, Boris
last_name: Krenzer
- first_name: Stefan
full_name: Wippermann, Stefan
last_name: Wippermann
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Friedrich
full_name: Klasing, Friedrich
last_name: Klasing
- first_name: Anja
full_name: Hanisch-Blicharski, Anja
last_name: Hanisch-Blicharski
- first_name: Martin
full_name: Kammler, Martin
last_name: Kammler
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Michael
full_name: Horn-von Hoegen, Michael
last_name: Horn-von Hoegen
citation:
ama: Wall S, Krenzer B, Wippermann S, et al. Atomistic Picture of Charge Density
Wave Formation at Surfaces. Physical Review Letters. 2012;109(18). doi:10.1103/physrevlett.109.186101
apa: Wall, S., Krenzer, B., Wippermann, S., Sanna, S., Klasing, F., Hanisch-Blicharski,
A., Kammler, M., Schmidt, W. G., & Horn-von Hoegen, M. (2012). Atomistic Picture
of Charge Density Wave Formation at Surfaces. Physical Review Letters,
109(18). https://doi.org/10.1103/physrevlett.109.186101
bibtex: '@article{Wall_Krenzer_Wippermann_Sanna_Klasing_Hanisch-Blicharski_Kammler_Schmidt_Horn-von Hoegen_2012,
title={Atomistic Picture of Charge Density Wave Formation at Surfaces}, volume={109},
DOI={10.1103/physrevlett.109.186101},
number={18}, journal={Physical Review Letters}, author={Wall, Simone and Krenzer,
Boris and Wippermann, Stefan and Sanna, Simone and Klasing, Friedrich and Hanisch-Blicharski,
Anja and Kammler, Martin and Schmidt, Wolf Gero and Horn-von Hoegen, Michael},
year={2012} }'
chicago: Wall, Simone, Boris Krenzer, Stefan Wippermann, Simone Sanna, Friedrich
Klasing, Anja Hanisch-Blicharski, Martin Kammler, Wolf Gero Schmidt, and Michael
Horn-von Hoegen. “Atomistic Picture of Charge Density Wave Formation at Surfaces.”
Physical Review Letters 109, no. 18 (2012). https://doi.org/10.1103/physrevlett.109.186101.
ieee: 'S. Wall et al., “Atomistic Picture of Charge Density Wave Formation
at Surfaces,” Physical Review Letters, vol. 109, no. 18, 2012, doi: 10.1103/physrevlett.109.186101.'
mla: Wall, Simone, et al. “Atomistic Picture of Charge Density Wave Formation at
Surfaces.” Physical Review Letters, vol. 109, no. 18, 2012, doi:10.1103/physrevlett.109.186101.
short: S. Wall, B. Krenzer, S. Wippermann, S. Sanna, F. Klasing, A. Hanisch-Blicharski,
M. Kammler, W.G. Schmidt, M. Horn-von Hoegen, Physical Review Letters 109 (2012).
date_created: 2019-09-30T14:30:43Z
date_updated: 2025-12-05T10:48:24Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevlett.109.186101
intvolume: ' 109'
issue: '18'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review Letters
publication_identifier:
issn:
- 0031-9007
- 1079-7114
publication_status: published
status: public
title: Atomistic Picture of Charge Density Wave Formation at Surfaces
type: journal_article
user_id: '16199'
volume: 109
year: '2012'
...
---
_id: '13536'
author:
- first_name: Arthur
full_name: Riefer, Arthur
last_name: Riefer
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Alexander V.
full_name: Gavrilenko, Alexander V.
last_name: Gavrilenko
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Riefer A, Sanna S, Gavrilenko AV, Schmidt WG. Linear and nonlinear optical
response of LiNbO3 calculated from first principles. IEEE Transactions on Ultrasonics,
Ferroelectrics, and Frequency Control. 2012;59(9):1929-1933. doi:10.1109/tuffc.2012.2409
apa: Riefer, A., Sanna, S., Gavrilenko, A. V., & Schmidt, W. G. (2012). Linear
and nonlinear optical response of LiNbO3 calculated from first principles. IEEE
Transactions on Ultrasonics, Ferroelectrics, and Frequency Control, 59(9),
1929–1933. https://doi.org/10.1109/tuffc.2012.2409
bibtex: '@article{Riefer_Sanna_Gavrilenko_Schmidt_2012, title={Linear and nonlinear
optical response of LiNbO3 calculated from first principles}, volume={59}, DOI={10.1109/tuffc.2012.2409}, number={9},
journal={IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control},
author={Riefer, Arthur and Sanna, Simone and Gavrilenko, Alexander V. and Schmidt,
Wolf Gero}, year={2012}, pages={1929–1933} }'
chicago: 'Riefer, Arthur, Simone Sanna, Alexander V. Gavrilenko, and Wolf Gero Schmidt.
“Linear and Nonlinear Optical Response of LiNbO3 Calculated from First Principles.”
IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control
59, no. 9 (2012): 1929–33. https://doi.org/10.1109/tuffc.2012.2409.'
ieee: 'A. Riefer, S. Sanna, A. V. Gavrilenko, and W. G. Schmidt, “Linear and nonlinear
optical response of LiNbO3 calculated from first principles,” IEEE Transactions
on Ultrasonics, Ferroelectrics, and Frequency Control, vol. 59, no. 9, pp.
1929–1933, 2012, doi: 10.1109/tuffc.2012.2409.'
mla: Riefer, Arthur, et al. “Linear and Nonlinear Optical Response of LiNbO3 Calculated
from First Principles.” IEEE Transactions on Ultrasonics, Ferroelectrics, and
Frequency Control, vol. 59, no. 9, 2012, pp. 1929–33, doi:10.1109/tuffc.2012.2409.
short: A. Riefer, S. Sanna, A.V. Gavrilenko, W.G. Schmidt, IEEE Transactions on
Ultrasonics, Ferroelectrics, and Frequency Control 59 (2012) 1929–1933.
date_created: 2019-09-30T14:36:41Z
date_updated: 2025-12-05T10:47:36Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1109/tuffc.2012.2409
intvolume: ' 59'
issue: '9'
language:
- iso: eng
page: 1929-1933
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: IEEE Transactions on Ultrasonics, Ferroelectrics, and Frequency Control
publication_identifier:
issn:
- 0885-3010
publication_status: published
status: public
title: Linear and nonlinear optical response of LiNbO3 calculated from first principles
type: journal_article
user_id: '16199'
volume: 59
year: '2012'
...
---
_id: '13541'
author:
- first_name: M.
full_name: Landmann, M.
last_name: Landmann
- first_name: T.
full_name: Köhler, T.
last_name: Köhler
- first_name: S.
full_name: Köppen, S.
last_name: Köppen
- first_name: E.
full_name: Rauls, E.
last_name: Rauls
- first_name: T.
full_name: Frauenheim, T.
last_name: Frauenheim
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Landmann M, Köhler T, Köppen S, Rauls E, Frauenheim T, Schmidt WG. Fingerprints
of order and disorder in the electronic and optical properties of crystalline
and amorphous TiO2. Physical Review B. 2012;86(6). doi:10.1103/physrevb.86.064201
apa: Landmann, M., Köhler, T., Köppen, S., Rauls, E., Frauenheim, T., & Schmidt,
W. G. (2012). Fingerprints of order and disorder in the electronic and optical
properties of crystalline and amorphous TiO2. Physical Review B, 86(6).
https://doi.org/10.1103/physrevb.86.064201
bibtex: '@article{Landmann_Köhler_Köppen_Rauls_Frauenheim_Schmidt_2012, title={Fingerprints
of order and disorder in the electronic and optical properties of crystalline
and amorphous TiO2}, volume={86}, DOI={10.1103/physrevb.86.064201},
number={6}, journal={Physical Review B}, author={Landmann, M. and Köhler, T. and
Köppen, S. and Rauls, E. and Frauenheim, T. and Schmidt, Wolf Gero}, year={2012}
}'
chicago: Landmann, M., T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and Wolf Gero
Schmidt. “Fingerprints of Order and Disorder in the Electronic and Optical Properties
of Crystalline and Amorphous TiO2.” Physical Review B 86, no. 6 (2012).
https://doi.org/10.1103/physrevb.86.064201.
ieee: 'M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, and W. G. Schmidt,
“Fingerprints of order and disorder in the electronic and optical properties of
crystalline and amorphous TiO2,” Physical Review B, vol. 86, no. 6, 2012,
doi: 10.1103/physrevb.86.064201.'
mla: Landmann, M., et al. “Fingerprints of Order and Disorder in the Electronic
and Optical Properties of Crystalline and Amorphous TiO2.” Physical Review
B, vol. 86, no. 6, 2012, doi:10.1103/physrevb.86.064201.
short: M. Landmann, T. Köhler, S. Köppen, E. Rauls, T. Frauenheim, W.G. Schmidt,
Physical Review B 86 (2012).
date_created: 2019-09-30T14:44:41Z
date_updated: 2025-12-05T10:46:28Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
doi: 10.1103/physrevb.86.064201
intvolume: ' 86'
issue: '6'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: Fingerprints of order and disorder in the electronic and optical properties
of crystalline and amorphous TiO2
type: journal_article
user_id: '16199'
volume: 86
year: '2012'
...