---
_id: '10023'
abstract:
- lang: eng
text: We perform a comprehensive theoretical study of the structural and electronic
properties of potassium niobate (KNbO3) in the cubic, tetragonal, orthorhombic,
monoclinic, and rhombohedral phase, based on density-functional theory. The influence
of different parametrizations of the exchange-correlation functional on the investigated
properties is analyzed in detail, and the results are compared to available experimental
data. We argue that the PBEsol and AM05 generalized gradient approximations as
well as the RTPSS meta-generalized gradient approximation yield consistently accurate
structural data for both the external and internal degrees of freedom and are
overall superior to the local-density approximation or other conventional generalized
gradient approximations for the structural characterization of KNbO3. Band-structure
calculations using a HSE-type hybrid functional further indicate significant near
degeneracies of band-edge states in all phases which are expected to be relevant
for the optical response of the material.
article_number: '3981317'
article_type: original
author:
- first_name: Falko
full_name: Schmidt, Falko
id: '35251'
last_name: Schmidt
orcid: 0000-0002-5071-5528
- first_name: Marc
full_name: Landmann, Marc
last_name: Landmann
- first_name: Eva
full_name: Rauls, Eva
last_name: Rauls
- first_name: Nicola
full_name: Argiolas, Nicola
last_name: Argiolas
- 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: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
citation:
ama: Schmidt F, Landmann M, Rauls E, et al. Consistent atomic geometries and electronic
structure of five phases of potassium niobate from density-functional theory.
Advances in Materials Science and Engineering. 2017;2017. doi:10.1155/2017/3981317
apa: Schmidt, F., Landmann, M., Rauls, E., Argiolas, N., Sanna, S., Schmidt, W.
G., & Schindlmayr, A. (2017). Consistent atomic geometries and electronic
structure of five phases of potassium niobate from density-functional theory.
Advances in Materials Science and Engineering, 2017, Article 3981317.
https://doi.org/10.1155/2017/3981317
bibtex: '@article{Schmidt_Landmann_Rauls_Argiolas_Sanna_Schmidt_Schindlmayr_2017,
title={Consistent atomic geometries and electronic structure of five phases of
potassium niobate from density-functional theory}, volume={2017}, DOI={10.1155/2017/3981317},
number={3981317}, journal={Advances in Materials Science and Engineering}, publisher={Hindawi},
author={Schmidt, Falko and Landmann, Marc and Rauls, Eva and Argiolas, Nicola
and Sanna, Simone and Schmidt, Wolf Gero and Schindlmayr, Arno}, year={2017} }'
chicago: Schmidt, Falko, Marc Landmann, Eva Rauls, Nicola Argiolas, Simone Sanna,
Wolf Gero Schmidt, and Arno Schindlmayr. “Consistent Atomic Geometries and Electronic
Structure of Five Phases of Potassium Niobate from Density-Functional Theory.”
Advances in Materials Science and Engineering 2017 (2017). https://doi.org/10.1155/2017/3981317.
ieee: 'F. Schmidt et al., “Consistent atomic geometries and electronic structure
of five phases of potassium niobate from density-functional theory,” Advances
in Materials Science and Engineering, vol. 2017, Art. no. 3981317, 2017, doi:
10.1155/2017/3981317.'
mla: Schmidt, Falko, et al. “Consistent Atomic Geometries and Electronic Structure
of Five Phases of Potassium Niobate from Density-Functional Theory.” Advances
in Materials Science and Engineering, vol. 2017, 3981317, Hindawi, 2017, doi:10.1155/2017/3981317.
short: F. Schmidt, M. Landmann, E. Rauls, N. Argiolas, S. Sanna, W.G. Schmidt, A.
Schindlmayr, Advances in Materials Science and Engineering 2017 (2017).
date_created: 2019-05-29T07:48:32Z
date_updated: 2025-12-05T09:58:11Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '15'
- _id: '35'
- _id: '27'
doi: 10.1155/2017/3981317
external_id:
isi:
- '000394873300001'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T09:27:19Z
date_updated: 2020-08-30T14:37:31Z
description: Creative Commons Attribution 4.0 International Public License (CC BY
4.0)
file_id: '18538'
file_name: 3981317.pdf
file_size: 985948
relation: main_file
title: Consistent atomic geometries and electronic structure of five phases of potassium
niobate from density-functional theory
file_date_updated: 2020-08-30T14:37:31Z
has_accepted_license: '1'
intvolume: ' 2017'
isi: '1'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Advances in Materials Science and Engineering
publication_identifier:
eissn:
- 1687-8442
issn:
- 1687-8434
publication_status: published
publisher: Hindawi
quality_controlled: '1'
status: public
title: Consistent atomic geometries and electronic structure of five phases of potassium
niobate from density-functional theory
type: journal_article
user_id: '16199'
volume: 2017
year: '2017'
...
---
_id: '10021'
abstract:
- lang: eng
text: The optical properties of pristine and titanium-doped LiNbO3 are modeled from
first principles. The dielectric functions are calculated within time-dependent
density-functional theory, and a model long-range contribution is employed for
the exchange-correlation kernel in order to account for the electron-hole binding.
Our study focuses on the influence of substitutional titanium atoms on lithium
sites. We show that an increasing titanium concentration enhances the values of
the refractive indices and the reflectivity.
article_number: '034401'
article_type: original
author:
- first_name: Michael
full_name: Friedrich, Michael
last_name: Friedrich
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
citation:
ama: Friedrich M, Schmidt WG, Schindlmayr A, Sanna S. Optical properties of titanium-doped
lithium niobate from time-dependent density-functional theory. Physical Review
Materials. 2017;1(3). doi:10.1103/PhysRevMaterials.1.034401
apa: Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Optical
properties of titanium-doped lithium niobate from time-dependent density-functional
theory. Physical Review Materials, 1(3), Article 034401. https://doi.org/10.1103/PhysRevMaterials.1.034401
bibtex: '@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Optical properties
of titanium-doped lithium niobate from time-dependent density-functional theory},
volume={1}, DOI={10.1103/PhysRevMaterials.1.034401},
number={3034401}, journal={Physical Review Materials}, publisher={American Physical
Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno
and Sanna, Simone}, year={2017} }'
chicago: Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna.
“Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent Density-Functional
Theory.” Physical Review Materials 1, no. 3 (2017). https://doi.org/10.1103/PhysRevMaterials.1.034401.
ieee: 'M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Optical properties
of titanium-doped lithium niobate from time-dependent density-functional theory,”
Physical Review Materials, vol. 1, no. 3, Art. no. 034401, 2017, doi: 10.1103/PhysRevMaterials.1.034401.'
mla: Friedrich, Michael, et al. “Optical Properties of Titanium-Doped Lithium Niobate
from Time-Dependent Density-Functional Theory.” Physical Review Materials,
vol. 1, no. 3, 034401, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.034401.
short: M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials
1 (2017).
date_created: 2019-05-29T07:42:33Z
date_updated: 2025-12-05T10:07:07Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '27'
doi: 10.1103/PhysRevMaterials.1.034401
external_id:
isi:
- '000416562300001'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-27T19:39:54Z
date_updated: 2020-08-30T14:36:11Z
description: © 2017 American Physical Society
file_id: '18467'
file_name: PhysRevMaterials.1.034401.pdf
file_size: 708075
relation: main_file
title: Optical properties of titanium-doped lithium niobate from time-dependent
density-functional theory
file_date_updated: 2020-08-30T14:36:11Z
has_accepted_license: '1'
intvolume: ' 1'
isi: '1'
issue: '3'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '68'
name: TRR 142 - Subproject B3
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
related_material:
record:
- id: '13410'
relation: other
status: public
status: public
title: Optical properties of titanium-doped lithium niobate from time-dependent density-functional
theory
type: journal_article
user_id: '16199'
volume: 1
year: '2017'
...
---
_id: '13416'
abstract:
- lang: eng
text: 'The optical properties of congruent lithium niobate are analyzed from first
principles. The dielectric function of the material is calculated within time-dependent
density-functional theory. The effects of isolated intrinsic defects and defect
pairs, including the NbLi4+ antisite and the NbLi4+−NbNb4+ pair, commonly addressed
as a bound polaron and bipolaron, respectively, are discussed in detail. In addition,
we present further possible realizations of polaronic and bipolaronic systems.
The absorption feature around 1.64 eV, ascribed to small bound polarons [O. F.
Schirmer et al., J. Phys.: Condens. Matter 21, 123201 (2009)], is nicely reproduced
within these models. Among the investigated defects, we find that the presence
of bipolarons at bound interstitial-vacancy pairs NbV−VLi can best explain the
experimentally observed broad absorption band at 2.5 eV. Our results provide a
microscopic model for the observed optical spectra and suggest that, besides NbLi
antisites and Nb and Li vacancies, Nb interstitials are also formed in congruent
lithium-niobate samples.'
article_number: '054406'
article_type: original
author:
- first_name: Michael
full_name: Friedrich, Michael
last_name: Friedrich
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
citation:
ama: Friedrich M, Schmidt WG, Schindlmayr A, Sanna S. Polaron optical absorption
in congruent lithium niobate from time-dependent density-functional theory. Physical
Review Materials. 2017;1(5). doi:10.1103/PhysRevMaterials.1.054406
apa: Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2017). Polaron
optical absorption in congruent lithium niobate from time-dependent density-functional
theory. Physical Review Materials, 1(5), Article 054406. https://doi.org/10.1103/PhysRevMaterials.1.054406
bibtex: '@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Polaron optical
absorption in congruent lithium niobate from time-dependent density-functional
theory}, volume={1}, DOI={10.1103/PhysRevMaterials.1.054406},
number={5054406}, journal={Physical Review Materials}, publisher={American Physical
Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno
and Sanna, Simone}, year={2017} }'
chicago: Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna.
“Polaron Optical Absorption in Congruent Lithium Niobate from Time-Dependent Density-Functional
Theory.” Physical Review Materials 1, no. 5 (2017). https://doi.org/10.1103/PhysRevMaterials.1.054406.
ieee: 'M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Polaron optical
absorption in congruent lithium niobate from time-dependent density-functional
theory,” Physical Review Materials, vol. 1, no. 5, Art. no. 054406, 2017,
doi: 10.1103/PhysRevMaterials.1.054406.'
mla: Friedrich, Michael, et al. “Polaron Optical Absorption in Congruent Lithium
Niobate from Time-Dependent Density-Functional Theory.” Physical Review Materials,
vol. 1, no. 5, 054406, American Physical Society, 2017, doi:10.1103/PhysRevMaterials.1.054406.
short: M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials
1 (2017).
date_created: 2019-09-20T11:54:25Z
date_updated: 2025-12-05T10:14:23Z
ddc:
- '530'
department:
- _id: '296'
- _id: '295'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '15'
- _id: '27'
doi: 10.1103/PhysRevMaterials.1.054406
external_id:
isi:
- '000416586100003'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-27T19:43:49Z
date_updated: 2020-08-30T14:38:50Z
description: © 2017 American Physical Society
file_id: '18468'
file_name: PhysRevMaterials.1.054406.pdf
file_size: 1417182
relation: main_file
title: Polaron optical absorption in congruent lithium niobate from time-dependent
density-functional theory
file_date_updated: 2020-08-30T14:38:50Z
has_accepted_license: '1'
intvolume: ' 1'
isi: '1'
issue: '5'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '68'
name: TRR 142 - Subproject B3
- _id: '69'
name: TRR 142 - Subproject B4
publication: Physical Review Materials
publication_identifier:
eissn:
- 2475-9953
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: Polaron optical absorption in congruent lithium niobate from time-dependent
density-functional theory
type: journal_article
user_id: '16199'
volume: 1
year: '2017'
...
---
_id: '13421'
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. Understanding band alignments in semiconductor
heterostructures: Composition dependence and type-I–type-II transition of natural
band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites. Physical
Review B. 2017;95(15). doi:10.1103/physrevb.95.155310'
apa: 'Landmann, M., Rauls, E., & Schmidt, W. G. (2017). Understanding band alignments
in semiconductor heterostructures: Composition dependence and type-I–type-II transition
of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites.
Physical Review B, 95(15). https://doi.org/10.1103/physrevb.95.155310'
bibtex: '@article{Landmann_Rauls_Schmidt_2017, title={Understanding band alignments
in semiconductor heterostructures: Composition dependence and type-I–type-II transition
of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites},
volume={95}, DOI={10.1103/physrevb.95.155310},
number={15}, journal={Physical Review B}, author={Landmann, M. and Rauls, E. and
Schmidt, Wolf Gero}, year={2017} }'
chicago: 'Landmann, M., E. Rauls, and Wolf Gero Schmidt. “Understanding Band Alignments
in Semiconductor Heterostructures: Composition Dependence and Type-I–Type-II Transition
of Natural Band Offsets in Nonpolar Zinc-BlendeAlxGa1−xN/AlyGa1−yNcomposites.”
Physical Review B 95, no. 15 (2017). https://doi.org/10.1103/physrevb.95.155310.'
ieee: 'M. Landmann, E. Rauls, and W. G. Schmidt, “Understanding band alignments
in semiconductor heterostructures: Composition dependence and type-I–type-II transition
of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites,”
Physical Review B, vol. 95, no. 15, 2017, doi: 10.1103/physrevb.95.155310.'
mla: 'Landmann, M., et al. “Understanding Band Alignments in Semiconductor Heterostructures:
Composition Dependence and Type-I–Type-II Transition of Natural Band Offsets in
Nonpolar Zinc-BlendeAlxGa1−xN/AlyGa1−yNcomposites.” Physical Review B,
vol. 95, no. 15, 2017, doi:10.1103/physrevb.95.155310.'
short: M. Landmann, E. Rauls, W.G. Schmidt, Physical Review B 95 (2017).
date_created: 2019-09-20T12:04:03Z
date_updated: 2025-12-05T10:11:42Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
- _id: '429'
doi: 10.1103/physrevb.95.155310
funded_apc: '1'
intvolume: ' 95'
issue: '15'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '66'
name: TRR 142 - Subproject B1
- _id: '69'
name: TRR 142 - Subproject B4
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
status: public
title: 'Understanding band alignments in semiconductor heterostructures: Composition
dependence and type-I–type-II transition of natural band offsets in nonpolar zinc-blendeAlxGa1−xN/AlyGa1−yNcomposites'
type: journal_article
user_id: '16199'
volume: 95
year: '2017'
...
---
_id: '13414'
author:
- first_name: A.
full_name: Riefer, A.
last_name: Riefer
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Riefer A, Schmidt WG. Solving the Bethe-Salpeter equation for the second-harmonic
generation in Zn chalcogenides. Physical Review B. 2017;96(23). doi:10.1103/physrevb.96.235206
apa: Riefer, A., & Schmidt, W. G. (2017). Solving the Bethe-Salpeter equation
for the second-harmonic generation in Zn chalcogenides. Physical Review B,
96(23). https://doi.org/10.1103/physrevb.96.235206
bibtex: '@article{Riefer_Schmidt_2017, title={Solving the Bethe-Salpeter equation
for the second-harmonic generation in Zn chalcogenides}, volume={96}, DOI={10.1103/physrevb.96.235206},
number={23}, journal={Physical Review B}, author={Riefer, A. and Schmidt, Wolf
Gero}, year={2017} }'
chicago: Riefer, A., and Wolf Gero Schmidt. “Solving the Bethe-Salpeter Equation
for the Second-Harmonic Generation in Zn Chalcogenides.” Physical Review B
96, no. 23 (2017). https://doi.org/10.1103/physrevb.96.235206.
ieee: 'A. Riefer and W. G. Schmidt, “Solving the Bethe-Salpeter equation for the
second-harmonic generation in Zn chalcogenides,” Physical Review B, vol.
96, no. 23, 2017, doi: 10.1103/physrevb.96.235206.'
mla: Riefer, A., and Wolf Gero Schmidt. “Solving the Bethe-Salpeter Equation for
the Second-Harmonic Generation in Zn Chalcogenides.” Physical Review B,
vol. 96, no. 23, 2017, doi:10.1103/physrevb.96.235206.
short: A. Riefer, W.G. Schmidt, Physical Review B 96 (2017).
date_created: 2019-09-20T11:42:24Z
date_updated: 2025-12-05T10:15:21Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
- _id: '35'
- _id: '27'
- _id: '429'
doi: 10.1103/physrevb.96.235206
funded_apc: '1'
intvolume: ' 96'
issue: '23'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
status: public
title: Solving the Bethe-Salpeter equation for the second-harmonic generation in Zn
chalcogenides
type: journal_article
user_id: '16199'
volume: 96
year: '2017'
...
---
_id: '7481'
abstract:
- lang: eng
text: The electronic band structures of hexagonal ZnO and cubic ZnS, ZnSe, and ZnTe
compounds are determined within hybrid-density-functional theory and quasiparticle
calculations. It is found that the band-edge energies calculated on the G0W0 (Zn
chalcogenides) or GW (ZnO) level of theory agree well with experiment, while fully
self-consistent QSGW calculations are required for the correct description of
the Zn 3d bands. The quasiparticle band structures are used to calculate the linear
response and second-harmonic-generation (SHG) spectra of the Zn–VI compounds.
Excitonic effects in the optical absorption are accounted for within the Bethe–Salpeter
approach. The calculated spectra are discussed in the context of previous experimental
data and present SHG measurements for ZnO.
article_number: '215702'
article_type: original
author:
- first_name: Arthur
full_name: Riefer, Arthur
last_name: Riefer
- first_name: Nils
full_name: Weber, Nils
last_name: Weber
- first_name: Johannes
full_name: Mund, Johannes
last_name: Mund
- first_name: Dmitri R.
full_name: Yakovlev, Dmitri R.
last_name: Yakovlev
- first_name: Manfred
full_name: Bayer, Manfred
last_name: Bayer
- first_name: Arno
full_name: Schindlmayr, Arno
id: '458'
last_name: Schindlmayr
orcid: 0000-0002-4855-071X
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Riefer A, Weber N, Mund J, et al. Zn–VI quasiparticle gaps and optical spectra
from many-body calculations. Journal of Physics: Condensed Matter. 2017;29(21).
doi:10.1088/1361-648x/aa6b2a'
apa: 'Riefer, A., Weber, N., Mund, J., Yakovlev, D. R., Bayer, M., Schindlmayr,
A., Meier, C., & Schmidt, W. G. (2017). Zn–VI quasiparticle gaps and optical
spectra from many-body calculations. Journal of Physics: Condensed Matter,
29(21), Article 215702. https://doi.org/10.1088/1361-648x/aa6b2a'
bibtex: '@article{Riefer_Weber_Mund_Yakovlev_Bayer_Schindlmayr_Meier_Schmidt_2017,
title={Zn–VI quasiparticle gaps and optical spectra from many-body calculations},
volume={29}, DOI={10.1088/1361-648x/aa6b2a},
number={21215702}, journal={Journal of Physics: Condensed Matter}, publisher={IOP
Publishing}, author={Riefer, Arthur and Weber, Nils and Mund, Johannes and Yakovlev,
Dmitri R. and Bayer, Manfred and Schindlmayr, Arno and Meier, Cedrik and Schmidt,
Wolf Gero}, year={2017} }'
chicago: 'Riefer, Arthur, Nils Weber, Johannes Mund, Dmitri R. Yakovlev, Manfred
Bayer, Arno Schindlmayr, Cedrik Meier, and Wolf Gero Schmidt. “Zn–VI Quasiparticle
Gaps and Optical Spectra from Many-Body Calculations.” Journal of Physics:
Condensed Matter 29, no. 21 (2017). https://doi.org/10.1088/1361-648x/aa6b2a.'
ieee: 'A. Riefer et al., “Zn–VI quasiparticle gaps and optical spectra from
many-body calculations,” Journal of Physics: Condensed Matter, vol. 29,
no. 21, Art. no. 215702, 2017, doi: 10.1088/1361-648x/aa6b2a.'
mla: 'Riefer, Arthur, et al. “Zn–VI Quasiparticle Gaps and Optical Spectra from
Many-Body Calculations.” Journal of Physics: Condensed Matter, vol. 29,
no. 21, 215702, IOP Publishing, 2017, doi:10.1088/1361-648x/aa6b2a.'
short: 'A. Riefer, N. Weber, J. Mund, D.R. Yakovlev, M. Bayer, A. Schindlmayr, C.
Meier, W.G. Schmidt, Journal of Physics: Condensed Matter 29 (2017).'
date_created: 2019-02-04T13:46:58Z
date_updated: 2025-12-16T11:07:33Z
ddc:
- '530'
department:
- _id: '287'
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '15'
- _id: '170'
- _id: '429'
- _id: '27'
doi: 10.1088/1361-648x/aa6b2a
external_id:
isi:
- '000400093100001'
pmid:
- '28374685'
file:
- access_level: closed
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T14:01:15Z
date_updated: 2020-08-30T14:34:08Z
description: © 2017 IOP Publishing Ltd
file_id: '18574'
file_name: Riefer_2017_J._Phys. _Condens._Matter_29_215702.pdf
file_size: 2551657
relation: main_file
title: Zn–VI quasiparticle gaps and optical spectra from many-body calculations
file_date_updated: 2020-08-30T14:34:08Z
has_accepted_license: '1'
intvolume: ' 29'
isi: '1'
issue: '21'
language:
- iso: eng
pmid: '1'
project:
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '66'
name: TRR 142 - Subproject B1
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: 'Journal of Physics: Condensed Matter'
publication_identifier:
eissn:
- 1361-648X
issn:
- 0953-8984
publication_status: published
publisher: IOP Publishing
quality_controlled: '1'
status: public
title: Zn–VI quasiparticle gaps and optical spectra from many-body calculations
type: journal_article
user_id: '16199'
volume: 29
year: '2017'
...
---
_id: '7480'
author:
- first_name: S. V.
full_name: Poltavtsev, S. V.
last_name: Poltavtsev
- first_name: A. N.
full_name: Kosarev, A. N.
last_name: Kosarev
- first_name: I. A.
full_name: Akimov, I. A.
last_name: Akimov
- first_name: D. R.
full_name: Yakovlev, D. R.
last_name: Yakovlev
- first_name: S.
full_name: Sadofev, S.
last_name: Sadofev
- first_name: J.
full_name: Puls, J.
last_name: Puls
- first_name: S. P.
full_name: Hoffmann, S. P.
last_name: Hoffmann
- first_name: M.
full_name: Albert, M.
last_name: Albert
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: M.
full_name: Bayer, M.
last_name: Bayer
citation:
ama: Poltavtsev SV, Kosarev AN, Akimov IA, et al. Time-resolved photon echoes from
donor-bound excitons in ZnO epitaxial layers. Physical Review B. 2017;96(3).
doi:10.1103/physrevb.96.035203
apa: Poltavtsev, S. V., Kosarev, A. N., Akimov, I. A., Yakovlev, D. R., Sadofev,
S., Puls, J., Hoffmann, S. P., Albert, M., Meier, C., Meier, T., & Bayer,
M. (2017). Time-resolved photon echoes from donor-bound excitons in ZnO epitaxial
layers. Physical Review B, 96(3). https://doi.org/10.1103/physrevb.96.035203
bibtex: '@article{Poltavtsev_Kosarev_Akimov_Yakovlev_Sadofev_Puls_Hoffmann_Albert_Meier_Meier_et
al._2017, title={Time-resolved photon echoes from donor-bound excitons in ZnO
epitaxial layers}, volume={96}, DOI={10.1103/physrevb.96.035203},
number={3}, journal={Physical Review B}, publisher={American Physical Society
(APS)}, author={Poltavtsev, S. V. and Kosarev, A. N. and Akimov, I. A. and Yakovlev,
D. R. and Sadofev, S. and Puls, J. and Hoffmann, S. P. and Albert, M. and Meier,
Cedrik and Meier, Torsten and et al.}, year={2017} }'
chicago: Poltavtsev, S. V., A. N. Kosarev, I. A. Akimov, D. R. Yakovlev, S. Sadofev,
J. Puls, S. P. Hoffmann, et al. “Time-Resolved Photon Echoes from Donor-Bound
Excitons in ZnO Epitaxial Layers.” Physical Review B 96, no. 3 (2017).
https://doi.org/10.1103/physrevb.96.035203.
ieee: 'S. V. Poltavtsev et al., “Time-resolved photon echoes from donor-bound
excitons in ZnO epitaxial layers,” Physical Review B, vol. 96, no. 3, 2017,
doi: 10.1103/physrevb.96.035203.'
mla: Poltavtsev, S. V., et al. “Time-Resolved Photon Echoes from Donor-Bound Excitons
in ZnO Epitaxial Layers.” Physical Review B, vol. 96, no. 3, American Physical
Society (APS), 2017, doi:10.1103/physrevb.96.035203.
short: S.V. Poltavtsev, A.N. Kosarev, I.A. Akimov, D.R. Yakovlev, S. Sadofev, J.
Puls, S.P. Hoffmann, M. Albert, C. Meier, T. Meier, M. Bayer, Physical Review
B 96 (2017).
date_created: 2019-02-04T13:42:57Z
date_updated: 2025-12-16T16:46:01Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
- _id: '287'
- _id: '170'
- _id: '293'
- _id: '429'
doi: 10.1103/physrevb.96.035203
intvolume: ' 96'
issue: '3'
language:
- iso: eng
project:
- _id: '66'
name: TRR 142 - Subproject B1
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '53'
name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
zu funktionellen Strukturen'
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Time-resolved photon echoes from donor-bound excitons in ZnO epitaxial layers
type: journal_article
user_id: '16199'
volume: 96
year: '2017'
...
---
_id: '7484'
author:
- first_name: Sandro Phil
full_name: Hoffmann, Sandro Phil
last_name: Hoffmann
- first_name: Maximilian
full_name: Albert, Maximilian
last_name: Albert
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
citation:
ama: Hoffmann SP, Albert M, Meier C. Fabrication of fully undercut ZnO-based photonic
crystal membranes with 3D optical confinement. Superlattices and Microstructures.
2016;97:397-408. doi:10.1016/j.spmi.2016.07.006
apa: Hoffmann, S. P., Albert, M., & Meier, C. (2016). Fabrication of fully undercut
ZnO-based photonic crystal membranes with 3D optical confinement. Superlattices
and Microstructures, 97, 397–408. https://doi.org/10.1016/j.spmi.2016.07.006
bibtex: '@article{Hoffmann_Albert_Meier_2016, title={Fabrication of fully undercut
ZnO-based photonic crystal membranes with 3D optical confinement}, volume={97},
DOI={10.1016/j.spmi.2016.07.006},
journal={Superlattices and Microstructures}, publisher={Elsevier BV}, author={Hoffmann,
Sandro Phil and Albert, Maximilian and Meier, Cedrik}, year={2016}, pages={397–408}
}'
chicago: 'Hoffmann, Sandro Phil, Maximilian Albert, and Cedrik Meier. “Fabrication
of Fully Undercut ZnO-Based Photonic Crystal Membranes with 3D Optical Confinement.”
Superlattices and Microstructures 97 (2016): 397–408. https://doi.org/10.1016/j.spmi.2016.07.006.'
ieee: S. P. Hoffmann, M. Albert, and C. Meier, “Fabrication of fully undercut ZnO-based
photonic crystal membranes with 3D optical confinement,” Superlattices and
Microstructures, vol. 97, pp. 397–408, 2016.
mla: Hoffmann, Sandro Phil, et al. “Fabrication of Fully Undercut ZnO-Based Photonic
Crystal Membranes with 3D Optical Confinement.” Superlattices and Microstructures,
vol. 97, Elsevier BV, 2016, pp. 397–408, doi:10.1016/j.spmi.2016.07.006.
short: S.P. Hoffmann, M. Albert, C. Meier, Superlattices and Microstructures 97
(2016) 397–408.
date_created: 2019-02-04T13:55:37Z
date_updated: 2022-01-06T07:03:39Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
- _id: '287'
doi: 10.1016/j.spmi.2016.07.006
intvolume: ' 97'
language:
- iso: eng
page: 397-408
project:
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '54'
name: TRR 142 - Project Area A
- _id: '66'
name: TRR 142 - Subproject B1
- _id: '62'
name: TRR 142 - Subproject A5
publication: Superlattices and Microstructures
publication_identifier:
issn:
- 0749-6036
publication_status: published
publisher: Elsevier BV
status: public
title: Fabrication of fully undercut ZnO-based photonic crystal membranes with 3D
optical confinement
type: journal_article
user_id: '20798'
volume: 97
year: '2016'
...
---
_id: '6533'
abstract:
- lang: eng
text: We propose and implement a new concept for thermochromic plasmonic elements.
It is based on vanadium dioxide (VO2) nanocrystals located in the near field of
surface plasmon polaritons supported by an otherwise unstructured gold thin film.
When the VO2 undergoes the metal-insulator phase transition, the coupling conditions
for conversion of light into propagating surface plasmon polaritons change markedly.
In particular, we realize thermochromic plasmonic grating couplers with substantial
switching contrast as well as tunable plasmonic couplers in a Kretschmann configuration.
The use of VO2 nanocrystals permits highly repetitive switching and room temperature
operation. Simulations based on the actual dielectric function of our VO2 nanocrystals
agree well with the experiment.
article_number: '17321'
author:
- first_name: Thorben
full_name: Jostmeier, Thorben
last_name: Jostmeier
- first_name: Moritz
full_name: Mangold, Moritz
last_name: Mangold
- first_name: Johannes
full_name: Zimmer, Johannes
last_name: Zimmer
- first_name: Helmut
full_name: Karl, Helmut
last_name: Karl
- first_name: Hubert J.
full_name: Krenner, Hubert J.
last_name: Krenner
- first_name: Claudia
full_name: Ruppert, Claudia
last_name: Ruppert
- first_name: Markus
full_name: Betz, Markus
last_name: Betz
citation:
ama: Jostmeier T, Mangold M, Zimmer J, et al. Thermochromic modulation of surface
plasmon polaritons in vanadium dioxide nanocomposites. Optics Express.
2016;24(15). doi:10.1364/oe.24.017321
apa: Jostmeier, T., Mangold, M., Zimmer, J., Karl, H., Krenner, H. J., Ruppert,
C., & Betz, M. (2016). Thermochromic modulation of surface plasmon polaritons
in vanadium dioxide nanocomposites. Optics Express, 24(15). https://doi.org/10.1364/oe.24.017321
bibtex: '@article{Jostmeier_Mangold_Zimmer_Karl_Krenner_Ruppert_Betz_2016, title={Thermochromic
modulation of surface plasmon polaritons in vanadium dioxide nanocomposites},
volume={24}, DOI={10.1364/oe.24.017321},
number={1517321}, journal={Optics Express}, publisher={The Optical Society}, author={Jostmeier,
Thorben and Mangold, Moritz and Zimmer, Johannes and Karl, Helmut and Krenner,
Hubert J. and Ruppert, Claudia and Betz, Markus}, year={2016} }'
chicago: Jostmeier, Thorben, Moritz Mangold, Johannes Zimmer, Helmut Karl, Hubert
J. Krenner, Claudia Ruppert, and Markus Betz. “Thermochromic Modulation of Surface
Plasmon Polaritons in Vanadium Dioxide Nanocomposites.” Optics Express
24, no. 15 (2016). https://doi.org/10.1364/oe.24.017321.
ieee: T. Jostmeier et al., “Thermochromic modulation of surface plasmon polaritons
in vanadium dioxide nanocomposites,” Optics Express, vol. 24, no. 15, 2016.
mla: Jostmeier, Thorben, et al. “Thermochromic Modulation of Surface Plasmon Polaritons
in Vanadium Dioxide Nanocomposites.” Optics Express, vol. 24, no. 15, 17321,
The Optical Society, 2016, doi:10.1364/oe.24.017321.
short: T. Jostmeier, M. Mangold, J. Zimmer, H. Karl, H.J. Krenner, C. Ruppert, M.
Betz, Optics Express 24 (2016).
date_created: 2019-01-09T09:34:56Z
date_updated: 2022-01-06T07:03:10Z
department:
- _id: '230'
doi: 10.1364/oe.24.017321
intvolume: ' 24'
issue: '15'
language:
- iso: eng
project:
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '67'
name: TRR 142 - Subproject B2
publication: Optics Express
publication_identifier:
issn:
- 1094-4087
publication_status: published
publisher: The Optical Society
status: public
title: Thermochromic modulation of surface plasmon polaritons in vanadium dioxide
nanocomposites
type: journal_article
user_id: '49428'
volume: 24
year: '2016'
...
---
_id: '4239'
abstract:
- lang: eng
text: "Confocal Raman spectroscopy is applied to identify ferroelectric domain structure
sensitive\r\nphonon modes in potassium titanyl phosphate. Therefore, polarization-dependent
measurements in\r\nvarious scattering configurations have been performed to characterize
the fundamental Raman\r\nspectra of the material. The obtained spectra are discussed
qualitatively based on an internal mode\r\nassignment. In the main part of this
work, we have characterized z-cut periodically poled potassium\r\ntitanyl phosphate
in terms of polarity- and structure-sensitive phonon modes. Here, we find vibrations\r\nwhose
intensities are linked to the ferroelectric domain walls. We interpret this in
terms of\r\nchanges in the polarizability originating from strain induced by domain
boundaries and the inner\r\nfield distribution. Hence, a direct and 3D visualization
of ferroelectric domain structures becomes\r\npossible in potassium titanyl phosphate."
article_number: '044103'
article_type: original
author:
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: Christof
full_name: Eigner, Christof
id: '13244'
last_name: Eigner
orcid: https://orcid.org/0000-0002-5693-3083
- first_name: P.
full_name: Mackwitz, P.
last_name: Mackwitz
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
citation:
ama: 'Rüsing M, Eigner C, Mackwitz P, Berth G, Silberhorn C, Zrenner A. Identification
of ferroelectric domain structure sensitive phonon modes in potassium titanyl
phosphate: A fundamental study. Journal of Applied Physics. 2016;119(4).
doi:10.1063/1.4940964'
apa: 'Rüsing, M., Eigner, C., Mackwitz, P., Berth, G., Silberhorn, C., & Zrenner,
A. (2016). Identification of ferroelectric domain structure sensitive phonon modes
in potassium titanyl phosphate: A fundamental study. Journal of Applied Physics,
119(4), Article 044103. https://doi.org/10.1063/1.4940964'
bibtex: '@article{Rüsing_Eigner_Mackwitz_Berth_Silberhorn_Zrenner_2016, title={Identification
of ferroelectric domain structure sensitive phonon modes in potassium titanyl
phosphate: A fundamental study}, volume={119}, DOI={10.1063/1.4940964},
number={4044103}, journal={Journal of Applied Physics}, publisher={AIP Publishing},
author={Rüsing, Michael and Eigner, Christof and Mackwitz, P. and Berth, Gerhard
and Silberhorn, Christine and Zrenner, Artur}, year={2016} }'
chicago: 'Rüsing, Michael, Christof Eigner, P. Mackwitz, Gerhard Berth, Christine
Silberhorn, and Artur Zrenner. “Identification of Ferroelectric Domain Structure
Sensitive Phonon Modes in Potassium Titanyl Phosphate: A Fundamental Study.” Journal
of Applied Physics 119, no. 4 (2016). https://doi.org/10.1063/1.4940964.'
ieee: 'M. Rüsing, C. Eigner, P. Mackwitz, G. Berth, C. Silberhorn, and A. Zrenner,
“Identification of ferroelectric domain structure sensitive phonon modes in potassium
titanyl phosphate: A fundamental study,” Journal of Applied Physics, vol.
119, no. 4, Art. no. 044103, 2016, doi: 10.1063/1.4940964.'
mla: 'Rüsing, Michael, et al. “Identification of Ferroelectric Domain Structure
Sensitive Phonon Modes in Potassium Titanyl Phosphate: A Fundamental Study.” Journal
of Applied Physics, vol. 119, no. 4, 044103, AIP Publishing, 2016, doi:10.1063/1.4940964.'
short: M. Rüsing, C. Eigner, P. Mackwitz, G. Berth, C. Silberhorn, A. Zrenner, Journal
of Applied Physics 119 (2016).
date_created: 2018-08-29T08:21:00Z
date_updated: 2023-10-09T08:32:15Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
- _id: '288'
doi: 10.1063/1.4940964
intvolume: ' 119'
issue: '4'
language:
- iso: eng
project:
- _id: '53'
grant_number: '231447078'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '68'
grant_number: '231447078'
name: TRR 142 - Subproject B3
publication: Journal of Applied Physics
publication_identifier:
issn:
- 0021-8979
- 1089-7550
publication_status: published
publisher: AIP Publishing
status: public
title: 'Identification of ferroelectric domain structure sensitive phonon modes in
potassium titanyl phosphate: A fundamental study'
type: journal_article
user_id: '14931'
volume: 119
year: '2016'
...
---
_id: '4237'
abstract:
- lang: eng
text: "We report the fabrication of periodically poled domain patterns in x-cut
lithium niobate thin-film.\r\nHere, thin films on insulator have drawn particular
attention due to their intrinsic waveguiding\r\nproperties offering high mode
confinement and smaller devices compared to in-diffused waveguides\r\nin bulk
material. In contrast to z-cut thin film lithium niobate, the x-cut geometry does
not\r\nrequire back electrodes for poling. Further, the x-cut geometry grants
direct access to the largest\r\nnonlinear and electro-optical tensor element,
which overall promises smaller devices. The domain\r\ninversion was realized via
electric field poling utilizing deposited aluminum top electrodes on a\r\nstack
of LN thin film/SiO2 layer/Bulk LN, which were patterned by optical lithography.
The periodic\r\ndomain inversion was verified by non-invasive confocal second
harmonic microscopy. Our\r\nresults show domain patterns in accordance to the
electrode mask layout. The second harmonic signatures\r\ncan be interpreted in
terms of spatially, overlapping domain filaments which start their\r\ngrowth on
the þz side."
article_number: '152902'
article_type: original
author:
- first_name: P.
full_name: Mackwitz, P.
last_name: Mackwitz
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: A.
full_name: Widhalm, A.
last_name: Widhalm
- first_name: K.
full_name: Müller, K.
last_name: Müller
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
citation:
ama: Mackwitz P, Rüsing M, Berth G, Widhalm A, Müller K, Zrenner A. Periodic domain
inversion in x-cut single-crystal lithium niobate thin film. Applied Physics
Letters. 2016;108(15). doi:10.1063/1.4946010
apa: Mackwitz, P., Rüsing, M., Berth, G., Widhalm, A., Müller, K., & Zrenner,
A. (2016). Periodic domain inversion in x-cut single-crystal lithium niobate thin
film. Applied Physics Letters, 108(15), Article 152902. https://doi.org/10.1063/1.4946010
bibtex: '@article{Mackwitz_Rüsing_Berth_Widhalm_Müller_Zrenner_2016, title={Periodic
domain inversion in x-cut single-crystal lithium niobate thin film}, volume={108},
DOI={10.1063/1.4946010}, number={15152902},
journal={Applied Physics Letters}, publisher={AIP Publishing}, author={Mackwitz,
P. and Rüsing, Michael and Berth, Gerhard and Widhalm, A. and Müller, K. and Zrenner,
Artur}, year={2016} }'
chicago: Mackwitz, P., Michael Rüsing, Gerhard Berth, A. Widhalm, K. Müller, and
Artur Zrenner. “Periodic Domain Inversion in X-Cut Single-Crystal Lithium Niobate
Thin Film.” Applied Physics Letters 108, no. 15 (2016). https://doi.org/10.1063/1.4946010.
ieee: 'P. Mackwitz, M. Rüsing, G. Berth, A. Widhalm, K. Müller, and A. Zrenner,
“Periodic domain inversion in x-cut single-crystal lithium niobate thin film,”
Applied Physics Letters, vol. 108, no. 15, Art. no. 152902, 2016, doi:
10.1063/1.4946010.'
mla: Mackwitz, P., et al. “Periodic Domain Inversion in X-Cut Single-Crystal Lithium
Niobate Thin Film.” Applied Physics Letters, vol. 108, no. 15, 152902,
AIP Publishing, 2016, doi:10.1063/1.4946010.
short: P. Mackwitz, M. Rüsing, G. Berth, A. Widhalm, K. Müller, A. Zrenner, Applied
Physics Letters 108 (2016).
date_created: 2018-08-29T08:16:14Z
date_updated: 2023-10-09T08:05:45Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
doi: 10.1063/1.4946010
intvolume: ' 108'
issue: '15'
language:
- iso: eng
project:
- _id: '53'
grant_number: '231447078'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '68'
grant_number: '231447078'
name: TRR 142 - Subproject B3
publication: Applied Physics Letters
publication_identifier:
issn:
- 0003-6951
- 1077-3118
publication_status: published
publisher: AIP Publishing
status: public
title: Periodic domain inversion in x-cut single-crystal lithium niobate thin film
type: journal_article
user_id: '14931'
volume: 108
year: '2016'
...
---
_id: '4240'
abstract:
- lang: eng
text: Cubic gallium nitride (GaN) films are analyzed with highresolution X-ray diffraction
(HRXRD) and Raman spectroscopy. Several cubic GaN layers were grown on 3C-SiC
(001) substrate by radio-frequency plasma-assisted molecular beam epitaxy. The
layer thickness of the cubic GaN was varied between 75 and 505 nm. The HRXRD analysis
reveals a reduction of the full-width at half-maximum (FWHM) of omega scans for
growing layer thicknesses, which is caused by a partial compensation of defects.
The Raman characterization confirms well-formed c-GaN layers. A more detailed
examination of the longitudinal optical mode hints at a correlation of the FWHM
of the Raman mode with the dislocation density, which shows the possibility to
determine dislocation densities by Ramanspectroscopy on a micrometer scale, which
is not possible by HRXRD. Furthermore, this Raman analysis shows that normalized
Raman spectra present an alternative way to determine layer thicknesses of thin
GaN films.
article_type: original
author:
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: T.
full_name: Wecker, T.
last_name: Wecker
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Donat Josef
full_name: As, Donat Josef
id: '14'
last_name: As
orcid: 0000-0003-1121-3565
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
citation:
ama: Rüsing M, Wecker T, Berth G, As DJ, Zrenner A. Joint Raman spectroscopy and
HRXRD investigation of cubic gallium nitride layers grown on 3C-SiC. physica
status solidi (b). 2016;253(4):778-782. doi:10.1002/pssb.201552592
apa: Rüsing, M., Wecker, T., Berth, G., As, D. J., & Zrenner, A. (2016). Joint
Raman spectroscopy and HRXRD investigation of cubic gallium nitride layers grown
on 3C-SiC. Physica Status Solidi (b), 253(4), 778–782. https://doi.org/10.1002/pssb.201552592
bibtex: '@article{Rüsing_Wecker_Berth_As_Zrenner_2016, title={Joint Raman spectroscopy
and HRXRD investigation of cubic gallium nitride layers grown on 3C-SiC}, volume={253},
DOI={10.1002/pssb.201552592},
number={4}, journal={physica status solidi (b)}, publisher={Wiley}, author={Rüsing,
Michael and Wecker, T. and Berth, Gerhard and As, Donat Josef and Zrenner, Artur},
year={2016}, pages={778–782} }'
chicago: 'Rüsing, Michael, T. Wecker, Gerhard Berth, Donat Josef As, and Artur Zrenner.
“Joint Raman Spectroscopy and HRXRD Investigation of Cubic Gallium Nitride Layers
Grown on 3C-SiC.” Physica Status Solidi (b) 253, no. 4 (2016): 778–82.
https://doi.org/10.1002/pssb.201552592.'
ieee: 'M. Rüsing, T. Wecker, G. Berth, D. J. As, and A. Zrenner, “Joint Raman spectroscopy
and HRXRD investigation of cubic gallium nitride layers grown on 3C-SiC,” physica
status solidi (b), vol. 253, no. 4, pp. 778–782, 2016, doi: 10.1002/pssb.201552592.'
mla: Rüsing, Michael, et al. “Joint Raman Spectroscopy and HRXRD Investigation of
Cubic Gallium Nitride Layers Grown on 3C-SiC.” Physica Status Solidi (b),
vol. 253, no. 4, Wiley, 2016, pp. 778–82, doi:10.1002/pssb.201552592.
short: M. Rüsing, T. Wecker, G. Berth, D.J. As, A. Zrenner, Physica Status Solidi
(b) 253 (2016) 778–782.
date_created: 2018-08-29T08:24:01Z
date_updated: 2023-10-09T08:48:35Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
doi: 10.1002/pssb.201552592
intvolume: ' 253'
issue: '4'
keyword:
- cubic gallium nitride
- dislocation density
- HRXRD
- Raman spectroscopy
language:
- iso: eng
page: 778-782
project:
- _id: '53'
grant_number: '231447078'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '68'
grant_number: '231447078'
name: TRR 142 - Subproject B3
publication: physica status solidi (b)
publication_identifier:
issn:
- 0370-1972
publication_status: published
publisher: Wiley
status: public
title: Joint Raman spectroscopy and HRXRD investigation of cubic gallium nitride layers
grown on 3C-SiC
type: journal_article
user_id: '14931'
volume: 253
year: '2016'
...
---
_id: '10026'
abstract:
- lang: eng
text: "Congruent lithium niobate and lithium tantalate mixed crystals have been
grown over the complete\r\ncompositional range with the Czochralski method. The
structural and vibrational properties of the mixed\r\ncrystals are studied extensively
by x-ray diffraction measurements, Raman spectroscopy, and density functional\r\ntheory.
The measured lattice parameters and vibrational frequencies are in good agreement
with our theoretical\r\npredictions. The observed dependence of the Raman frequencies
on the crystal composition is discussed on the\r\nbasis of the calculated phonon
displacement patterns. The phononic contribution to the static dielectric tensor\r\nis
calculated by means of the generalized Lyddane-Sachs-Teller relation. Due to the
pronounced dependence of\r\nthe optical response on the Ta concentration, lithium
niobate tantalate mixed crystals represent a perfect model\r\nsystem to study
the properties of uniaxial mixed ferroelectric materials for application in integrated
optics."
author:
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Sergej
full_name: Neufeld, Sergej
id: '23261'
last_name: Neufeld
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
- first_name: H.
full_name: Yu, H.
last_name: Yu
- first_name: Y.
full_name: Wang, Y.
last_name: Wang
- first_name: H.
full_name: Zhang, H.
last_name: Zhang
citation:
ama: Rüsing M, Sanna S, Neufeld S, et al. Vibrational properties of LiNb1−xTaxO3
mixed crystals. Physical Review B. Published online 2016. doi:10.1103/physrevb.93.184305
apa: Rüsing, M., Sanna, S., Neufeld, S., Berth, G., Schmidt, W. G., Zrenner, A.,
Yu, H., Wang, Y., & Zhang, H. (2016). Vibrational properties of LiNb1−xTaxO3
mixed crystals. Physical Review B. https://doi.org/10.1103/physrevb.93.184305
bibtex: '@article{Rüsing_Sanna_Neufeld_Berth_Schmidt_Zrenner_Yu_Wang_Zhang_2016,
title={Vibrational properties of LiNb1−xTaxO3 mixed crystals}, DOI={10.1103/physrevb.93.184305},
journal={Physical Review B}, author={Rüsing, Michael and Sanna, Simone and Neufeld,
Sergej and Berth, Gerhard and Schmidt, Wolf Gero and Zrenner, Artur and Yu, H.
and Wang, Y. and Zhang, H.}, year={2016} }'
chicago: Rüsing, Michael, Simone Sanna, Sergej Neufeld, Gerhard Berth, Wolf Gero
Schmidt, Artur Zrenner, H. Yu, Y. Wang, and H. Zhang. “Vibrational Properties
of LiNb1−xTaxO3 Mixed Crystals.” Physical Review B, 2016. https://doi.org/10.1103/physrevb.93.184305.
ieee: 'M. Rüsing et al., “Vibrational properties of LiNb1−xTaxO3 mixed crystals,”
Physical Review B, 2016, doi: 10.1103/physrevb.93.184305.'
mla: Rüsing, Michael, et al. “Vibrational Properties of LiNb1−xTaxO3 Mixed Crystals.”
Physical Review B, 2016, doi:10.1103/physrevb.93.184305.
short: M. Rüsing, S. Sanna, S. Neufeld, G. Berth, W.G. Schmidt, A. Zrenner, H. Yu,
Y. Wang, H. Zhang, Physical Review B (2016).
date_created: 2019-05-29T07:55:07Z
date_updated: 2023-10-11T07:28:32Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '230'
doi: 10.1103/physrevb.93.184305
funded_apc: '1'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
grant_number: '231447078'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
grant_number: '231447078'
name: TRR 142 - Subproject B4
- _id: '68'
grant_number: '231447078'
name: TRR 142 - Subproject B3
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
status: public
title: Vibrational properties of LiNb1−xTaxO3 mixed crystals
type: journal_article
user_id: '22501'
year: '2016'
...
---
_id: '10024'
abstract:
- lang: eng
text: The influence of electronic many-body interactions, spin-orbit coupling, and
thermal lattice vibrations on the electronic structure of lithium niobate is calculated
from first principles. Self-energy calculations in the GW approximation show that
the inclusion of self-consistency in the Green function G and the screened Coulomb
potential W opens the band gap far stronger than found in previous G0W0 calculations
but slightly overestimates its actual value due to the neglect of excitonic effects
in W. A realistic frozen-lattice band gap of about 5.9 eV is obtained by combining
hybrid density functional theory with the QSGW0 scheme. The renormalization of
the band gap due to electron-phonon coupling, derived here using molecular dynamics
as well as density functional perturbation theory, reduces this value by about
0.5 eV at room temperature. Spin-orbit coupling does not noticeably modify the
fundamental gap but gives rise to a Rashba-like spin texture in the conduction
band.
article_number: '075205'
article_type: original
author:
- first_name: Arthur
full_name: Riefer, Arthur
last_name: Riefer
- first_name: Michael
full_name: Friedrich, Michael
last_name: Friedrich
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- 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, Friedrich M, Sanna S, Gerstmann U, Schindlmayr A, Schmidt WG. LiNbO3
electronic structure: Many-body interactions, spin-orbit coupling, and thermal
effects. Physical Review B. 2016;93(7). doi:10.1103/PhysRevB.93.075205'
apa: 'Riefer, A., Friedrich, M., Sanna, S., Gerstmann, U., Schindlmayr, A., &
Schmidt, W. G. (2016). LiNbO3 electronic structure: Many-body interactions, spin-orbit
coupling, and thermal effects. Physical Review B, 93(7), Article
075205. https://doi.org/10.1103/PhysRevB.93.075205'
bibtex: '@article{Riefer_Friedrich_Sanna_Gerstmann_Schindlmayr_Schmidt_2016, title={LiNbO3
electronic structure: Many-body interactions, spin-orbit coupling, and thermal
effects}, volume={93}, DOI={10.1103/PhysRevB.93.075205},
number={7075205}, journal={Physical Review B}, publisher={American Physical Society},
author={Riefer, Arthur and Friedrich, Michael and Sanna, Simone and Gerstmann,
Uwe and Schindlmayr, Arno and Schmidt, Wolf Gero}, year={2016} }'
chicago: 'Riefer, Arthur, Michael Friedrich, Simone Sanna, Uwe Gerstmann, Arno Schindlmayr,
and Wolf Gero Schmidt. “LiNbO3 Electronic Structure: Many-Body Interactions, Spin-Orbit
Coupling, and Thermal Effects.” Physical Review B 93, no. 7 (2016). https://doi.org/10.1103/PhysRevB.93.075205.'
ieee: 'A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, and W. G.
Schmidt, “LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling,
and thermal effects,” Physical Review B, vol. 93, no. 7, Art. no. 075205,
2016, doi: 10.1103/PhysRevB.93.075205.'
mla: 'Riefer, Arthur, et al. “LiNbO3 Electronic Structure: Many-Body Interactions,
Spin-Orbit Coupling, and Thermal Effects.” Physical Review B, vol. 93,
no. 7, 075205, American Physical Society, 2016, doi:10.1103/PhysRevB.93.075205.'
short: A. Riefer, M. Friedrich, S. Sanna, U. Gerstmann, A. Schindlmayr, W.G. Schmidt,
Physical Review B 93 (2016).
date_created: 2019-05-29T07:50:59Z
date_updated: 2025-12-05T09:59:57Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '790'
- _id: '15'
- _id: '35'
- _id: '27'
doi: 10.1103/PhysRevB.93.075205
external_id:
isi:
- '000370794800004'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-27T20:36:43Z
date_updated: 2020-08-30T14:39:23Z
description: © 2016 American Physical Society
file_id: '18469'
file_name: PhysRevB.93.075205.pdf
file_size: 1314637
relation: main_file
title: 'LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling,
and thermal effects'
file_date_updated: 2020-08-30T14:39:23Z
has_accepted_license: '1'
intvolume: ' 93'
isi: '1'
issue: '7'
language:
- iso: eng
oa: '1'
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review B
publication_identifier:
eissn:
- 2469-9969
issn:
- 2469-9950
publication_status: published
publisher: American Physical Society
quality_controlled: '1'
status: public
title: 'LiNbO3 electronic structure: Many-body interactions, spin-orbit coupling,
and thermal effects'
type: journal_article
user_id: '16199'
volume: 93
year: '2016'
...
---
_id: '10025'
abstract:
- lang: eng
text: The phonon dispersions of the ferro‐ and paraelectric phase of LiTaO3 are
calculated within density‐functional perturbation theory. The longitudinal optical
phonon modes are theoretically derived and compared with available experimental
data. Our results confirm the recent phonon assignment proposed by Margueron et
al. [J. Appl. Phys. 111, 104105 (2012)] on the basis of spectroscopical studies.
A comparison with the phonon band structure of the related material LiNbO3 shows
minor differences that can be traced to the atomic‐mass difference between Ta
and Nb. The presence of phonons with imaginary frequencies for the paraelectric
phase suggests that it does not correspond to a minimum energy structure, and
is compatible with an order‐disorder type phase transition.
article_type: original
author:
- first_name: Michael
full_name: Friedrich, Michael
last_name: Friedrich
- 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
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
citation:
ama: Friedrich M, Schindlmayr A, Schmidt WG, Sanna S. LiTaO3 phonon dispersion and
ferroelectric transition calculated from first principles. Physica Status Solidi
B. 2016;253(4):683-689. doi:10.1002/pssb.201552576
apa: Friedrich, M., Schindlmayr, A., Schmidt, W. G., & Sanna, S. (2016). LiTaO3
phonon dispersion and ferroelectric transition calculated from first principles.
Physica Status Solidi B, 253(4), 683–689. https://doi.org/10.1002/pssb.201552576
bibtex: '@article{Friedrich_Schindlmayr_Schmidt_Sanna_2016, title={LiTaO3 phonon
dispersion and ferroelectric transition calculated from first principles}, volume={253},
DOI={10.1002/pssb.201552576},
number={4}, journal={Physica Status Solidi B}, publisher={Wiley-VCH}, author={Friedrich,
Michael and Schindlmayr, Arno and Schmidt, Wolf Gero and Sanna, Simone}, year={2016},
pages={683–689} }'
chicago: 'Friedrich, Michael, Arno Schindlmayr, Wolf Gero Schmidt, and Simone Sanna.
“LiTaO3 Phonon Dispersion and Ferroelectric Transition Calculated from First Principles.”
Physica Status Solidi B 253, no. 4 (2016): 683–89. https://doi.org/10.1002/pssb.201552576.'
ieee: 'M. Friedrich, A. Schindlmayr, W. G. Schmidt, and S. Sanna, “LiTaO3 phonon
dispersion and ferroelectric transition calculated from first principles,” Physica
Status Solidi B, vol. 253, no. 4, pp. 683–689, 2016, doi: 10.1002/pssb.201552576.'
mla: Friedrich, Michael, et al. “LiTaO3 Phonon Dispersion and Ferroelectric Transition
Calculated from First Principles.” Physica Status Solidi B, vol. 253, no.
4, Wiley-VCH, 2016, pp. 683–89, doi:10.1002/pssb.201552576.
short: M. Friedrich, A. Schindlmayr, W.G. Schmidt, S. Sanna, Physica Status Solidi
B 253 (2016) 683–689.
date_created: 2019-05-29T07:52:52Z
date_updated: 2025-12-05T09:58:55Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
- _id: '15'
- _id: '35'
- _id: '27'
doi: 10.1002/pssb.201552576
external_id:
isi:
- '000374142500015'
file:
- access_level: closed
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T14:22:11Z
date_updated: 2020-08-30T14:41:39Z
description: © 2015 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim
file_id: '18577'
file_name: pssb.201552576.pdf
file_size: 402594
relation: main_file
title: LiTaO3 phonon dispersion and ferroelectric transition calculated from first
principles
file_date_updated: 2020-08-30T14:41:39Z
has_accepted_license: '1'
intvolume: ' 253'
isi: '1'
issue: '4'
language:
- iso: eng
page: 683-689
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physica Status Solidi B
publication_identifier:
eissn:
- 1521-3951
issn:
- 0370-1972
publication_status: published
publisher: Wiley-VCH
quality_controlled: '1'
status: public
title: LiTaO3 phonon dispersion and ferroelectric transition calculated from first
principles
type: journal_article
user_id: '16199'
volume: 253
year: '2016'
...
---
_id: '6522'
abstract:
- lang: eng
text: An electric field applied to a semiconductor reduces its crystal symmetry
and modifies its electronic structure which is expected to result in changes of
the linear and nonlinear response to optical excitation. In GaAs, we observe experimentally
strong electric field effects on the optical second (SHG) and third (THG) harmonic
generation. The SHG signal for the laser-light k vector parallel to the [001]
crystal axis is symmetry forbidden in the electric-dipole approximation, but can
be induced by an applied electric field in the vicinity of the 1s exciton energy.
Surprisingly, the THG signal, which is allowed in this geometry, is considerably
reduced by the electric field. We develop a theory which provides good agreement
with the experimental data. In particular, it shows that the optical nonlinearities
for the 1s exciton resonance are modified in an electric field by the Stark effect,
which mixes the 1s and 2p exciton states of opposite parity. This mixing acts
in opposite way on the SHG and THG processes, as it leads to the appearance of
forbidden SHG in (001)-oriented GaAs and decreases the crystallographic THG.
article_type: original
author:
- first_name: D.
full_name: Brunne, D.
last_name: Brunne
- first_name: M.
full_name: Lafrentz, M.
last_name: Lafrentz
- first_name: V. V.
full_name: Pavlov, V. V.
last_name: Pavlov
- first_name: R. V.
full_name: Pisarev, R. V.
last_name: Pisarev
- first_name: A. V.
full_name: Rodina, A. V.
last_name: Rodina
- first_name: D. R.
full_name: Yakovlev, D. R.
last_name: Yakovlev
- first_name: M.
full_name: Bayer, M.
last_name: Bayer
citation:
ama: Brunne D, Lafrentz M, Pavlov VV, et al. Electric field effect on optical harmonic
generation at the exciton resonances in GaAs. Physical Review B. 2015;92(8).
doi:10.1103/physrevb.92.085202
apa: Brunne, D., Lafrentz, M., Pavlov, V. V., Pisarev, R. V., Rodina, A. V., Yakovlev,
D. R., & Bayer, M. (2015). Electric field effect on optical harmonic generation
at the exciton resonances in GaAs. Physical Review B, 92(8). https://doi.org/10.1103/physrevb.92.085202
bibtex: '@article{Brunne_Lafrentz_Pavlov_Pisarev_Rodina_Yakovlev_Bayer_2015, title={Electric
field effect on optical harmonic generation at the exciton resonances in GaAs},
volume={92}, DOI={10.1103/physrevb.92.085202},
number={8}, journal={Physical Review B}, publisher={American Physical Society
(APS)}, author={Brunne, D. and Lafrentz, M. and Pavlov, V. V. and Pisarev, R.
V. and Rodina, A. V. and Yakovlev, D. R. and Bayer, M.}, year={2015} }'
chicago: Brunne, D., M. Lafrentz, V. V. Pavlov, R. V. Pisarev, A. V. Rodina, D.
R. Yakovlev, and M. Bayer. “Electric Field Effect on Optical Harmonic Generation
at the Exciton Resonances in GaAs.” Physical Review B 92, no. 8 (2015).
https://doi.org/10.1103/physrevb.92.085202.
ieee: D. Brunne et al., “Electric field effect on optical harmonic generation
at the exciton resonances in GaAs,” Physical Review B, vol. 92, no. 8,
2015.
mla: Brunne, D., et al. “Electric Field Effect on Optical Harmonic Generation at
the Exciton Resonances in GaAs.” Physical Review B, vol. 92, no. 8, American
Physical Society (APS), 2015, doi:10.1103/physrevb.92.085202.
short: D. Brunne, M. Lafrentz, V.V. Pavlov, R.V. Pisarev, A.V. Rodina, D.R. Yakovlev,
M. Bayer, Physical Review B 92 (2015).
date_created: 2019-01-09T09:00:20Z
date_updated: 2022-01-06T07:03:10Z
department:
- _id: '230'
doi: 10.1103/physrevb.92.085202
intvolume: ' 92'
issue: '8'
language:
- iso: eng
project:
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Electric field effect on optical harmonic generation at the exciton resonances
in GaAs
type: journal_article
user_id: '477'
volume: 92
year: '2015'
...
---
_id: '6529'
author:
- first_name: D. R.
full_name: Yakovlev, D. R.
last_name: Yakovlev
- first_name: W.
full_name: Warkentin, W.
last_name: Warkentin
- first_name: D.
full_name: Brunne, D.
last_name: Brunne
- first_name: J.
full_name: Mund, J.
last_name: Mund
- first_name: V. V.
full_name: Pavlov, V. V.
last_name: Pavlov
- first_name: A. V.
full_name: Rodina, A. V.
last_name: Rodina
- first_name: R. V.
full_name: Pisarev, R. V.
last_name: Pisarev
- first_name: M.
full_name: Bayer, M.
last_name: Bayer
citation:
ama: 'Yakovlev DR, Warkentin W, Brunne D, et al. Novel mechanisms of optical harmonic
generation on excitons in semiconductors. In: Bertolotti M, Haus JW, Zheltikov
AM, eds. Nonlinear Optics and Applications IX. SPIE; 2015. doi:10.1117/12.2185309'
apa: 'Yakovlev, D. R., Warkentin, W., Brunne, D., Mund, J., Pavlov, V. V., Rodina,
A. V., … Bayer, M. (2015). Novel mechanisms of optical harmonic generation on
excitons in semiconductors. In M. Bertolotti, J. W. Haus, & A. M. Zheltikov
(Eds.), Nonlinear Optics and Applications IX. Prague, Czech Rep: SPIE.
https://doi.org/10.1117/12.2185309'
bibtex: '@inproceedings{Yakovlev_Warkentin_Brunne_Mund_Pavlov_Rodina_Pisarev_Bayer_2015,
title={Novel mechanisms of optical harmonic generation on excitons in semiconductors},
DOI={10.1117/12.2185309}, booktitle={Nonlinear
Optics and Applications IX}, publisher={SPIE}, author={Yakovlev, D. R. and Warkentin,
W. and Brunne, D. and Mund, J. and Pavlov, V. V. and Rodina, A. V. and Pisarev,
R. V. and Bayer, M.}, editor={Bertolotti, Mario and Haus, Joseph W. and Zheltikov,
Alexei M.Editors}, year={2015} }'
chicago: Yakovlev, D. R., W. Warkentin, D. Brunne, J. Mund, V. V. Pavlov, A. V.
Rodina, R. V. Pisarev, and M. Bayer. “Novel Mechanisms of Optical Harmonic Generation
on Excitons in Semiconductors.” In Nonlinear Optics and Applications IX,
edited by Mario Bertolotti, Joseph W. Haus, and Alexei M. Zheltikov. SPIE, 2015.
https://doi.org/10.1117/12.2185309.
ieee: D. R. Yakovlev et al., “Novel mechanisms of optical harmonic generation
on excitons in semiconductors,” in Nonlinear Optics and Applications IX,
Prague, Czech Rep, 2015.
mla: Yakovlev, D. R., et al. “Novel Mechanisms of Optical Harmonic Generation on
Excitons in Semiconductors.” Nonlinear Optics and Applications IX, edited
by Mario Bertolotti et al., SPIE, 2015, doi:10.1117/12.2185309.
short: 'D.R. Yakovlev, W. Warkentin, D. Brunne, J. Mund, V.V. Pavlov, A.V. Rodina,
R.V. Pisarev, M. Bayer, in: M. Bertolotti, J.W. Haus, A.M. Zheltikov (Eds.), Nonlinear
Optics and Applications IX, SPIE, 2015.'
conference:
end_date: 2015-04-16
location: Prague, Czech Rep
name: SPIE OPTICS + OPTOELECTRONICS
start_date: 2015-04-13
date_created: 2019-01-09T09:25:50Z
date_updated: 2022-01-06T07:03:10Z
department:
- _id: '230'
doi: 10.1117/12.2185309
editor:
- first_name: Mario
full_name: Bertolotti, Mario
last_name: Bertolotti
- first_name: Joseph W.
full_name: Haus, Joseph W.
last_name: Haus
- first_name: Alexei M.
full_name: Zheltikov, Alexei M.
last_name: Zheltikov
language:
- iso: eng
project:
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '66'
name: TRR 142 - Subproject B1
publication: Nonlinear Optics and Applications IX
publication_status: published
publisher: SPIE
status: public
title: Novel mechanisms of optical harmonic generation on excitons in semiconductors
type: conference
user_id: '49428'
year: '2015'
...
---
_id: '10027'
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
- first_name: M. D.
full_name: Neumann, M. D.
last_name: Neumann
- first_name: E.
full_name: Speiser, E.
last_name: Speiser
- first_name: N.
full_name: Esser, N.
last_name: Esser
citation:
ama: 'Landmann M, Rauls E, Schmidt WG, Neumann MD, Speiser E, Esser N. GaNm-plane:
Atomic structure, surface bands, and optical response. Physical Review B.
2015. doi:10.1103/physrevb.91.035302'
apa: 'Landmann, M., Rauls, E., Schmidt, W. G., Neumann, M. D., Speiser, E., &
Esser, N. (2015). GaNm-plane: Atomic structure, surface bands, and optical response.
Physical Review B. https://doi.org/10.1103/physrevb.91.035302'
bibtex: '@article{Landmann_Rauls_Schmidt_Neumann_Speiser_Esser_2015, title={GaNm-plane:
Atomic structure, surface bands, and optical response}, DOI={10.1103/physrevb.91.035302},
journal={Physical Review B}, author={Landmann, M. and Rauls, E. and Schmidt, Wolf
Gero and Neumann, M. D. and Speiser, E. and Esser, N.}, year={2015} }'
chicago: 'Landmann, M., E. Rauls, Wolf Gero Schmidt, M. D. Neumann, E. Speiser,
and N. Esser. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical Response.”
Physical Review B, 2015. https://doi.org/10.1103/physrevb.91.035302.'
ieee: 'M. Landmann, E. Rauls, W. G. Schmidt, M. D. Neumann, E. Speiser, and N. Esser,
“GaNm-plane: Atomic structure, surface bands, and optical response,” Physical
Review B, 2015.'
mla: 'Landmann, M., et al. “GaNm-Plane: Atomic Structure, Surface Bands, and Optical
Response.” Physical Review B, 2015, doi:10.1103/physrevb.91.035302.'
short: M. Landmann, E. Rauls, W.G. Schmidt, M.D. Neumann, E. Speiser, N. Esser,
Physical Review B (2015).
date_created: 2019-05-29T07:58:04Z
date_updated: 2022-01-06T06:50:26Z
department:
- _id: '15'
doi: 10.1103/physrevb.91.035302
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: 'GaNm-plane: Atomic structure, surface bands, and optical response'
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '10029'
author:
- first_name: Christian
full_name: Braun, Christian
id: '28675'
last_name: Braun
orcid: 0000-0002-3224-2683
- 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: Braun C, Sanna S, Schmidt WG. Liquid Crystal (8CB) Molecular Adsorption on
Lithium Niobate Z-Cut Surfaces. The Journal of Physical Chemistry C. 2015:9342-9346.
doi:10.1021/acs.jpcc.5b00894
apa: Braun, C., Sanna, S., & Schmidt, W. G. (2015). Liquid Crystal (8CB) Molecular
Adsorption on Lithium Niobate Z-Cut Surfaces. The Journal of Physical Chemistry
C, 9342–9346. https://doi.org/10.1021/acs.jpcc.5b00894
bibtex: '@article{Braun_Sanna_Schmidt_2015, title={Liquid Crystal (8CB) Molecular
Adsorption on Lithium Niobate Z-Cut Surfaces}, DOI={10.1021/acs.jpcc.5b00894},
journal={The Journal of Physical Chemistry C}, author={Braun, Christian and Sanna,
Simone and Schmidt, Wolf Gero}, year={2015}, pages={9342–9346} }'
chicago: Braun, Christian, Simone Sanna, and Wolf Gero Schmidt. “Liquid Crystal
(8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces.” The Journal
of Physical Chemistry C, 2015, 9342–46. https://doi.org/10.1021/acs.jpcc.5b00894.
ieee: C. Braun, S. Sanna, and W. G. Schmidt, “Liquid Crystal (8CB) Molecular Adsorption
on Lithium Niobate Z-Cut Surfaces,” The Journal of Physical Chemistry C,
pp. 9342–9346, 2015.
mla: Braun, Christian, et al. “Liquid Crystal (8CB) Molecular Adsorption on Lithium
Niobate Z-Cut Surfaces.” The Journal of Physical Chemistry C, 2015, pp.
9342–46, doi:10.1021/acs.jpcc.5b00894.
short: C. Braun, S. Sanna, W.G. Schmidt, The Journal of Physical Chemistry C (2015)
9342–9346.
date_created: 2019-05-29T08:37:53Z
date_updated: 2022-01-06T06:50:26Z
department:
- _id: '15'
doi: 10.1021/acs.jpcc.5b00894
funded_apc: '1'
language:
- iso: eng
page: 9342-9346
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: The Journal of Physical Chemistry C
publication_identifier:
issn:
- 1932-7447
- 1932-7455
publication_status: published
status: public
title: Liquid Crystal (8CB) Molecular Adsorption on Lithium Niobate Z-Cut Surfaces
type: journal_article
user_id: '16199'
year: '2015'
...
---
_id: '10031'
author:
- first_name: Yanlu
full_name: Li, Yanlu
last_name: Li
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
citation:
ama: Li Y, Schmidt WG, Sanna S. Defect complexes in congruentLiNbO3and their optical
signatures. Physical Review B. 2015. doi:10.1103/physrevb.91.174106
apa: Li, Y., Schmidt, W. G., & Sanna, S. (2015). Defect complexes in congruentLiNbO3and
their optical signatures. Physical Review B. https://doi.org/10.1103/physrevb.91.174106
bibtex: '@article{Li_Schmidt_Sanna_2015, title={Defect complexes in congruentLiNbO3and
their optical signatures}, DOI={10.1103/physrevb.91.174106},
journal={Physical Review B}, author={Li, Yanlu and Schmidt, Wolf Gero and Sanna,
Simone}, year={2015} }'
chicago: Li, Yanlu, Wolf Gero Schmidt, and Simone Sanna. “Defect Complexes in CongruentLiNbO3and
Their Optical Signatures.” Physical Review B, 2015. https://doi.org/10.1103/physrevb.91.174106.
ieee: Y. Li, W. G. Schmidt, and S. Sanna, “Defect complexes in congruentLiNbO3and
their optical signatures,” Physical Review B, 2015.
mla: Li, Yanlu, et al. “Defect Complexes in CongruentLiNbO3and Their Optical Signatures.”
Physical Review B, 2015, doi:10.1103/physrevb.91.174106.
short: Y. Li, W.G. Schmidt, S. Sanna, Physical Review B (2015).
date_created: 2019-05-29T08:42:52Z
date_updated: 2022-01-06T06:50:27Z
department:
- _id: '15'
doi: 10.1103/physrevb.91.174106
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '53'
name: TRR 142
- _id: '55'
name: TRR 142 - Project Area B
- _id: '69'
name: TRR 142 - Subproject B4
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: Defect complexes in congruentLiNbO3and their optical signatures
type: journal_article
user_id: '16199'
year: '2015'
...