---
_id: '40444'
article_number: '184108'
author:
- first_name: H. J.
full_name: von Bardeleben, H. J.
last_name: von Bardeleben
- first_name: E.
full_name: Rauls, E.
last_name: Rauls
- first_name: Uwe
full_name: Gerstmann, Uwe
id: '171'
last_name: Gerstmann
orcid: 0000-0002-4476-223X
citation:
ama: 'von Bardeleben HJ, Rauls E, Gerstmann U. Carbon vacancy-related centers in
<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mn>3</mml:mn><mml:mi>C</mml:mi></mml:math>-silicon
carbide: Negative-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math>
properties and structural transformation. Physical Review B. 2020;101(18).
doi:10.1103/physrevb.101.184108'
apa: 'von Bardeleben, H. J., Rauls, E., & Gerstmann, U. (2020). Carbon vacancy-related
centers in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mn>3</mml:mn><mml:mi>C</mml:mi></mml:math>-silicon
carbide: Negative-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math>
properties and structural transformation. Physical Review B, 101(18),
Article 184108. https://doi.org/10.1103/physrevb.101.184108'
bibtex: '@article{von Bardeleben_Rauls_Gerstmann_2020, title={Carbon vacancy-related
centers in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mn>3</mml:mn><mml:mi>C</mml:mi></mml:math>-silicon
carbide: Negative-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math>
properties and structural transformation}, volume={101}, DOI={10.1103/physrevb.101.184108},
number={18184108}, journal={Physical Review B}, publisher={American Physical Society
(APS)}, author={von Bardeleben, H. J. and Rauls, E. and Gerstmann, Uwe}, year={2020}
}'
chicago: 'Bardeleben, H. J. von, E. Rauls, and Uwe Gerstmann. “Carbon Vacancy-Related
Centers in <mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"><mml:Mn>3</Mml:Mn><mml:Mi>C</Mml:Mi></Mml:Math>-Silicon
Carbide: Negative-<mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"><mml:Mi>U</Mml:Mi></Mml:Math>
Properties and Structural Transformation.” Physical Review B 101, no. 18
(2020). https://doi.org/10.1103/physrevb.101.184108.'
ieee: 'H. J. von Bardeleben, E. Rauls, and U. Gerstmann, “Carbon vacancy-related
centers in <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mn>3</mml:mn><mml:mi>C</mml:mi></mml:math>-silicon
carbide: Negative-<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mi>U</mml:mi></mml:math>
properties and structural transformation,” Physical Review B, vol. 101,
no. 18, Art. no. 184108, 2020, doi: 10.1103/physrevb.101.184108.'
mla: 'von Bardeleben, H. J., et al. “Carbon Vacancy-Related Centers in <mml:Math
Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"><mml:Mn>3</Mml:Mn><mml:Mi>C</Mml:Mi></Mml:Math>-Silicon
Carbide: Negative-<mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"><mml:Mi>U</Mml:Mi></Mml:Math>
Properties and Structural Transformation.” Physical Review B, vol. 101,
no. 18, 184108, American Physical Society (APS), 2020, doi:10.1103/physrevb.101.184108.'
short: H.J. von Bardeleben, E. Rauls, U. Gerstmann, Physical Review B 101 (2020).
date_created: 2023-01-26T16:09:47Z
date_updated: 2023-04-20T16:11:11Z
department:
- _id: '170'
- _id: '295'
- _id: '429'
- _id: '15'
- _id: '790'
- _id: '35'
doi: 10.1103/physrevb.101.184108
intvolume: ' 101'
issue: '18'
language:
- iso: eng
project:
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
name: 'TRR 142: TRR 142'
- _id: '55'
name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '68'
name: 'TRR 142 - B03: TRR 142 - Subproject B03'
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
publisher: American Physical Society (APS)
status: public
title: 'Carbon vacancy-related centers in 3C-silicon
carbide: Negative-U
properties and structural transformation'
type: journal_article
user_id: '16199'
volume: 101
year: '2020'
...
---
_id: '22887'
author:
- first_name: J.
full_name: Vondran, J.
last_name: Vondran
- first_name: F.
full_name: Spitzer, F.
last_name: Spitzer
- first_name: M.
full_name: Bayer, M.
last_name: Bayer
- first_name: I. A.
full_name: Akimov, I. A.
last_name: Akimov
- first_name: Alexander
full_name: Trautmann, Alexander
id: '38163'
last_name: Trautmann
- first_name: Matthias
full_name: Reichelt, Matthias
id: '138'
last_name: Reichelt
- first_name: Cedrik
full_name: Meier, Cedrik
id: '20798'
last_name: Meier
orcid: https://orcid.org/0000-0002-3787-3572
- first_name: N.
full_name: Weber, N.
last_name: Weber
- first_name: Torsten
full_name: Meier, Torsten
id: '344'
last_name: Meier
orcid: 0000-0001-8864-2072
- first_name: R.
full_name: André, R.
last_name: André
- first_name: H.
full_name: Mariette, H.
last_name: Mariette
citation:
ama: Vondran J, Spitzer F, Bayer M, et al. Spatially asymmetric transients of propagating
exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure. Physical
Review B. 2019;100(15):155308. doi:10.1103/physrevb.100.155308
apa: Vondran, J., Spitzer, F., Bayer, M., Akimov, I. A., Trautmann, A., Reichelt,
M., Meier, C., Weber, N., Meier, T., André, R., & Mariette, H. (2019). Spatially
asymmetric transients of propagating exciton-polariton modes in a planar CdZnTe/CdMgTe
guiding structure. Physical Review B, 100(15), 155308. https://doi.org/10.1103/physrevb.100.155308
bibtex: '@article{Vondran_Spitzer_Bayer_Akimov_Trautmann_Reichelt_Meier_Weber_Meier_André_et
al._2019, title={Spatially asymmetric transients of propagating exciton-polariton
modes in a planar CdZnTe/CdMgTe guiding structure}, volume={100}, DOI={10.1103/physrevb.100.155308},
number={15}, journal={Physical Review B}, author={Vondran, J. and Spitzer, F.
and Bayer, M. and Akimov, I. A. and Trautmann, Alexander and Reichelt, Matthias
and Meier, Cedrik and Weber, N. and Meier, Torsten and André, R. and et al.},
year={2019}, pages={155308} }'
chicago: 'Vondran, J., F. Spitzer, M. Bayer, I. A. Akimov, Alexander Trautmann,
Matthias Reichelt, Cedrik Meier, et al. “Spatially Asymmetric Transients of Propagating
Exciton-Polariton Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” Physical
Review B 100, no. 15 (2019): 155308. https://doi.org/10.1103/physrevb.100.155308.'
ieee: 'J. Vondran et al., “Spatially asymmetric transients of propagating
exciton-polariton modes in a planar CdZnTe/CdMgTe guiding structure,” Physical
Review B, vol. 100, no. 15, p. 155308, 2019, doi: 10.1103/physrevb.100.155308.'
mla: Vondran, J., et al. “Spatially Asymmetric Transients of Propagating Exciton-Polariton
Modes in a Planar CdZnTe/CdMgTe Guiding Structure.” Physical Review B,
vol. 100, no. 15, 2019, p. 155308, doi:10.1103/physrevb.100.155308.
short: J. Vondran, F. Spitzer, M. Bayer, I.A. Akimov, A. Trautmann, M. Reichelt,
C. Meier, N. Weber, T. Meier, R. André, H. Mariette, Physical Review B 100 (2019)
155308.
date_created: 2021-07-29T08:13:23Z
date_updated: 2023-04-21T11:30:46Z
department:
- _id: '15'
- _id: '170'
- _id: '293'
- _id: '429'
- _id: '230'
- _id: '35'
doi: 10.1103/physrevb.100.155308
intvolume: ' 100'
issue: '15'
language:
- iso: eng
page: '155308'
project:
- _id: '53'
name: TRR 142
- _id: '54'
name: TRR 142 - Project Area A
- _id: '56'
name: TRR 142 - Project Area C
- _id: '55'
name: TRR 142 - Project Area B
- _id: '59'
name: TRR 142 - Subproject A2
- _id: '67'
name: TRR 142 - Subproject B2
- _id: '68'
name: TRR 142 - Subproject B3
- _id: '62'
name: TRR 142 - Subproject A5
- _id: '71'
name: TRR 142 - Subproject C1
publication: Physical Review B
publication_identifier:
issn:
- 2469-9950
- 2469-9969
publication_status: published
status: public
title: Spatially asymmetric transients of propagating exciton-polariton modes in a
planar CdZnTe/CdMgTe guiding structure
type: journal_article
user_id: '16199'
volume: 100
year: '2019'
...
---
_id: '13410'
article_number: '019902'
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. Erratum: Optical properties
of titanium-doped lithium niobate from time-dependent density-functional theory
[Phys. Rev. Materials 1, 034401 (2017)]. Physical Review Materials. 2018;2(1).
doi:10.1103/PhysRevMaterials.2.019902'
apa: 'Friedrich, M., Schmidt, W. G., Schindlmayr, A., & Sanna, S. (2018). Erratum:
Optical properties of titanium-doped lithium niobate from time-dependent density-functional
theory [Phys. Rev. Materials 1, 034401 (2017)]. Physical Review Materials,
2(1). https://doi.org/10.1103/PhysRevMaterials.2.019902'
bibtex: '@article{Friedrich_Schmidt_Schindlmayr_Sanna_2018, title={Erratum: Optical
properties of titanium-doped lithium niobate from time-dependent density-functional
theory [Phys. Rev. Materials 1, 034401 (2017)]}, volume={2}, DOI={10.1103/PhysRevMaterials.2.019902},
number={1019902}, journal={Physical Review Materials}, publisher={American Physical
Society}, author={Friedrich, Michael and Schmidt, Wolf Gero and Schindlmayr, Arno
and Sanna, Simone}, year={2018} }'
chicago: 'Friedrich, Michael, Wolf Gero Schmidt, Arno Schindlmayr, and Simone Sanna.
“Erratum: Optical Properties of Titanium-Doped Lithium Niobate from Time-Dependent
Density-Functional Theory [Phys. Rev. Materials 1, 034401 (2017)].” Physical
Review Materials 2, no. 1 (2018). https://doi.org/10.1103/PhysRevMaterials.2.019902.'
ieee: 'M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Erratum: Optical
properties of titanium-doped lithium niobate from time-dependent density-functional
theory [Phys. Rev. Materials 1, 034401 (2017)],” Physical Review Materials,
vol. 2, no. 1, 2018.'
mla: 'Friedrich, Michael, et al. “Erratum: Optical Properties of Titanium-Doped
Lithium Niobate from Time-Dependent Density-Functional Theory [Phys. Rev. Materials
1, 034401 (2017)].” Physical Review Materials, vol. 2, no. 1, 019902, American
Physical Society, 2018, doi:10.1103/PhysRevMaterials.2.019902.'
short: M. Friedrich, W.G. Schmidt, A. Schindlmayr, S. Sanna, Physical Review Materials
2 (2018).
date_created: 2019-09-20T11:28:23Z
date_updated: 2025-12-05T10:07:07Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
doi: 10.1103/PhysRevMaterials.2.019902
external_id:
isi:
- '000419778500006'
file:
- access_level: open_access
content_type: application/pdf
creator: schindlm
date_created: 2020-08-28T09:11:59Z
date_updated: 2020-08-30T14:34:54Z
description: © 2018 American Physical Society
file_id: '18536'
file_name: PhysRevMaterials.2.019902.pdf
file_size: 178961
relation: main_file
title: 'Erratum: Optical properties of titanium-doped lithium niobate from time-dependent
density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]'
file_date_updated: 2020-08-30T14:34:54Z
has_accepted_license: '1'
intvolume: ' 2'
isi: '1'
issue: '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: '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'
related_material:
record:
- id: '10021'
relation: other
status: public
status: public
title: 'Erratum: Optical properties of titanium-doped lithium niobate from time-dependent
density-functional theory [Phys. Rev. Materials 1, 034401 (2017)]'
type: journal_article
user_id: '458'
volume: 2
year: '2018'
...
---
_id: '3434'
abstract:
- lang: eng
text: In this work we study the impact of ion implantation on the nonlinear optical
properties in MgO:LiNbO3 via confocal second-harmonic microscopy. In detail, we
spatially characterize the nonlinear susceptibility in carbon-ion implanted lithium
niobate planar waveguides for different implantation energies and fluences, as
well as the effect of annealing. In a further step, a computational simulation
is used to calculate the implantation range of carbon-ions and the corresponding
defect density distribution. A comparison between the simulation and the experimental
data indicates that the depth profile of the second-order effective nonlinear
coefficient is directly connected to the defect density that is induced by the
ion irradiation. Furthermore it can be demonstrated that the annealing treatment
partially recovers the second-order optical susceptibility.
article_type: original
author:
- first_name: Kai J.
full_name: Spychala, Kai J.
last_name: Spychala
- first_name: Gerhard
full_name: Berth, Gerhard
id: '53'
last_name: Berth
- first_name: Alex
full_name: Widhalm, Alex
last_name: Widhalm
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: Lei
full_name: Wang, Lei
last_name: Wang
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
citation:
ama: Spychala KJ, Berth G, Widhalm A, et al. Impact of carbon-ion implantation on
the nonlinear optical susceptibility of LiNbO3. OPTICS EXPRESS. 2017;(18):21444--21453.
doi:10.1364/OE.25.021444
apa: Spychala, K. J., Berth, G., Widhalm, A., Rüsing, M., Wang, L., Sanna, S., &
Zrenner, A. (2017). Impact of carbon-ion implantation on the nonlinear optical
susceptibility of LiNbO3. OPTICS EXPRESS, 18, 21444--21453. https://doi.org/10.1364/OE.25.021444
bibtex: '@article{Spychala_Berth_Widhalm_Rüsing_Wang_Sanna_Zrenner_2017, title={Impact
of carbon-ion implantation on the nonlinear optical susceptibility of LiNbO3},
DOI={10.1364/OE.25.021444},
number={18}, journal={OPTICS EXPRESS}, author={Spychala, Kai J. and Berth, Gerhard
and Widhalm, Alex and Rüsing, Michael and Wang, Lei and Sanna, Simone and Zrenner,
Artur}, year={2017}, pages={21444--21453} }'
chicago: 'Spychala, Kai J., Gerhard Berth, Alex Widhalm, Michael Rüsing, Lei Wang,
Simone Sanna, and Artur Zrenner. “Impact of Carbon-Ion Implantation on the Nonlinear
Optical Susceptibility of LiNbO3.” OPTICS EXPRESS, no. 18 (2017): 21444--21453.
https://doi.org/10.1364/OE.25.021444.'
ieee: 'K. J. Spychala et al., “Impact of carbon-ion implantation on the nonlinear
optical susceptibility of LiNbO3,” OPTICS EXPRESS, no. 18, pp. 21444--21453,
2017, doi: 10.1364/OE.25.021444.'
mla: Spychala, Kai J., et al. “Impact of Carbon-Ion Implantation on the Nonlinear
Optical Susceptibility of LiNbO3.” OPTICS EXPRESS, no. 18, 2017, pp. 21444--21453,
doi:10.1364/OE.25.021444.
short: K.J. Spychala, G. Berth, A. Widhalm, M. Rüsing, L. Wang, S. Sanna, A. Zrenner,
OPTICS EXPRESS (2017) 21444--21453.
date_created: 2018-07-05T11:53:46Z
date_updated: 2023-10-09T08:10:58Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
doi: 10.1364/OE.25.021444
issue: '18'
language:
- iso: eng
page: 21444--21453
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: OPTICS EXPRESS
publication_identifier:
issn:
- 1094-4087
publication_status: published
status: public
title: Impact of carbon-ion implantation on the nonlinear optical susceptibility of
LiNbO3
type: journal_article
user_id: '14931'
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: '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: '4332'
abstract:
- lang: eng
text: LiTaO3 and LiNbO3 crystals are investigated here in a combined experimental
and theoretical study that uses Raman spectroscopy in a complete set of scattering
geometries and corresponding density-functional theory calculations to provide
microscopic information on their vibrational properties. The Raman scattering
efficiency is computed from first principles in order to univocally assign the
measured Raman peaks to the calculated eigenvectors. Measured and calculated Raman
spectra are shown to be in qualitative agreement and confirm the mode assignment
by Margueron et al. [J. Appl. Phys. 111, 104105 (2012)], thus finally settling
a long debate. While the two crystals show rather similar vibrational properties
overall, the E-TO9 mode is markedly different in the two oxides. The deviations
are explained by a different anion-cation bond type in LiTaO3 and LiNbO3 crystals.
article_type: original
author:
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
- first_name: Sergej
full_name: Neufeld, Sergej
id: '23261'
last_name: Neufeld
- 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: Artur
full_name: Zrenner, Artur
id: '606'
last_name: Zrenner
orcid: 0000-0002-5190-0944
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Sanna S, Neufeld S, Rüsing M, Berth G, Zrenner A, Schmidt WG. Raman scattering
efficiency in LiTaO3 and LiNbO3 crystals. Physical Review B. 2015;91(22).
doi:10.1103/physrevb.91.224302
apa: Sanna, S., Neufeld, S., Rüsing, M., Berth, G., Zrenner, A., & Schmidt,
W. G. (2015). Raman scattering efficiency in LiTaO3 and LiNbO3 crystals. Physical
Review B, 91(22). https://doi.org/10.1103/physrevb.91.224302
bibtex: '@article{Sanna_Neufeld_Rüsing_Berth_Zrenner_Schmidt_2015, title={Raman
scattering efficiency in LiTaO3 and LiNbO3 crystals}, volume={91}, DOI={10.1103/physrevb.91.224302},
number={22}, journal={Physical Review B}, publisher={American Physical Society
(APS)}, author={Sanna, Simone and Neufeld, Sergej and Rüsing, Michael and Berth,
Gerhard and Zrenner, Artur and Schmidt, Wolf Gero}, year={2015} }'
chicago: Sanna, Simone, Sergej Neufeld, Michael Rüsing, Gerhard Berth, Artur Zrenner,
and Wolf Gero Schmidt. “Raman Scattering Efficiency in LiTaO3 and LiNbO3 Crystals.”
Physical Review B 91, no. 22 (2015). https://doi.org/10.1103/physrevb.91.224302.
ieee: 'S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, and W. G. Schmidt,
“Raman scattering efficiency in LiTaO3 and LiNbO3 crystals,” Physical Review
B, vol. 91, no. 22, 2015, doi: 10.1103/physrevb.91.224302.'
mla: Sanna, Simone, et al. “Raman Scattering Efficiency in LiTaO3 and LiNbO3 Crystals.”
Physical Review B, vol. 91, no. 22, American Physical Society (APS), 2015,
doi:10.1103/physrevb.91.224302.
short: S. Sanna, S. Neufeld, M. Rüsing, G. Berth, A. Zrenner, W.G. Schmidt, Physical
Review B 91 (2015).
date_created: 2018-08-30T13:51:38Z
date_updated: 2023-10-11T07:25:58Z
department:
- _id: '15'
- _id: '230'
doi: 10.1103/physrevb.91.224302
funded_apc: '1'
intvolume: ' 91'
issue: '22'
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
- _id: '69'
grant_number: '231447078'
name: TRR 142 - Subproject B4
- _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
publisher: American Physical Society (APS)
status: public
title: Raman scattering efficiency in LiTaO3 and LiNbO3 crystals
type: journal_article
user_id: '22501'
volume: 91
year: '2015'
...
---
_id: '13504'
author:
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
- first_name: C.
full_name: Dues, C.
last_name: Dues
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Sanna S, Dues C, Schmidt WG. Modeling atomic force microscopy at LiNbO 3 surfaces
from first-principles. Computational Materials Science. 2015;103:145-150.
doi:10.1016/j.commatsci.2015.03.025
apa: Sanna, S., Dues, C., & Schmidt, W. G. (2015). Modeling atomic force microscopy
at LiNbO 3 surfaces from first-principles. Computational Materials Science,
103, 145–150. https://doi.org/10.1016/j.commatsci.2015.03.025
bibtex: '@article{Sanna_Dues_Schmidt_2015, title={Modeling atomic force microscopy
at LiNbO 3 surfaces from first-principles}, volume={103}, DOI={10.1016/j.commatsci.2015.03.025},
journal={Computational Materials Science}, author={Sanna, S. and Dues, C. and
Schmidt, Wolf Gero}, year={2015}, pages={145–150} }'
chicago: 'Sanna, S., C. Dues, and Wolf Gero Schmidt. “Modeling Atomic Force Microscopy
at LiNbO 3 Surfaces from First-Principles.” Computational Materials Science
103 (2015): 145–50. https://doi.org/10.1016/j.commatsci.2015.03.025.'
ieee: 'S. Sanna, C. Dues, and W. G. Schmidt, “Modeling atomic force microscopy at
LiNbO 3 surfaces from first-principles,” Computational Materials Science,
vol. 103, pp. 145–150, 2015, doi: 10.1016/j.commatsci.2015.03.025.'
mla: Sanna, S., et al. “Modeling Atomic Force Microscopy at LiNbO 3 Surfaces from
First-Principles.” Computational Materials Science, vol. 103, 2015, pp.
145–50, doi:10.1016/j.commatsci.2015.03.025.
short: S. Sanna, C. Dues, W.G. Schmidt, Computational Materials Science 103 (2015)
145–150.
date_created: 2019-09-30T13:06:04Z
date_updated: 2025-12-05T10:37:16Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.1016/j.commatsci.2015.03.025
intvolume: ' 103'
language:
- iso: eng
page: 145-150
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
- _id: '53'
name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
zu funktionellen Strukturen'
publication: Computational Materials Science
publication_identifier:
issn:
- 0927-0256
publication_status: published
status: public
title: Modeling atomic force microscopy at LiNbO 3 surfaces from first-principles
type: journal_article
user_id: '16199'
volume: 103
year: '2015'
...
---
_id: '13506'
author:
- first_name: A.
full_name: Sanson, A.
last_name: Sanson
- first_name: A.
full_name: Zaltron, A.
last_name: Zaltron
- first_name: N.
full_name: Argiolas, N.
last_name: Argiolas
- first_name: C.
full_name: Sada, C.
last_name: Sada
- first_name: M.
full_name: Bazzan, M.
last_name: Bazzan
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
citation:
ama: Sanson A, Zaltron A, Argiolas N, et al. Polaronic deformation at theFe2+/3+impurity
site inFe:LiNbO3crystals. Physical Review B. 2015;91. doi:10.1103/physrevb.91.094109
apa: Sanson, A., Zaltron, A., Argiolas, N., Sada, C., Bazzan, M., Schmidt, W. G.,
& Sanna, S. (2015). Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals.
Physical Review B, 91. https://doi.org/10.1103/physrevb.91.094109
bibtex: '@article{Sanson_Zaltron_Argiolas_Sada_Bazzan_Schmidt_Sanna_2015, title={Polaronic
deformation at theFe2+/3+impurity site inFe:LiNbO3crystals}, volume={91}, DOI={10.1103/physrevb.91.094109},
journal={Physical Review B}, author={Sanson, A. and Zaltron, A. and Argiolas,
N. and Sada, C. and Bazzan, M. and Schmidt, Wolf Gero and Sanna, S.}, year={2015}
}'
chicago: Sanson, A., A. Zaltron, N. Argiolas, C. Sada, M. Bazzan, Wolf Gero Schmidt,
and S. Sanna. “Polaronic Deformation at TheFe2+/3+impurity Site InFe:LiNbO3crystals.”
Physical Review B 91 (2015). https://doi.org/10.1103/physrevb.91.094109.
ieee: 'A. Sanson et al., “Polaronic deformation at theFe2+/3+impurity site
inFe:LiNbO3crystals,” Physical Review B, vol. 91, 2015, doi: 10.1103/physrevb.91.094109.'
mla: Sanson, A., et al. “Polaronic Deformation at TheFe2+/3+impurity Site InFe:LiNbO3crystals.”
Physical Review B, vol. 91, 2015, doi:10.1103/physrevb.91.094109.
short: A. Sanson, A. Zaltron, N. Argiolas, C. Sada, M. Bazzan, W.G. Schmidt, S.
Sanna, Physical Review B 91 (2015).
date_created: 2019-09-30T13:19:05Z
date_updated: 2025-12-05T10:36:22Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '429'
doi: 10.1103/physrevb.91.094109
intvolume: ' 91'
language:
- iso: eng
project:
- _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
- _id: '53'
name: 'TRR 142: Maßgeschneiderte nichtlineare Photonik: Von grundlegenden Konzepten
zu funktionellen Strukturen'
publication: Physical Review B
publication_identifier:
issn:
- 1098-0121
- 1550-235X
publication_status: published
status: public
title: Polaronic deformation at theFe2+/3+impurity site inFe:LiNbO3crystals
type: journal_article
user_id: '16199'
volume: 91
year: '2015'
...
---
_id: '13515'
author:
- first_name: S.
full_name: Sanna, S.
last_name: Sanna
- first_name: R.
full_name: Hölscher, R.
last_name: Hölscher
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: 'Sanna S, Hölscher R, Schmidt WG. Temperature dependent LiNbO3(0001): Surface
reconstruction and surface charge. Applied Surface Science. Published online
2014:70-78. doi:10.1016/j.apsusc.2014.01.104'
apa: 'Sanna, S., Hölscher, R., & Schmidt, W. G. (2014). Temperature dependent
LiNbO3(0001): Surface reconstruction and surface charge. Applied Surface Science,
70–78. https://doi.org/10.1016/j.apsusc.2014.01.104'
bibtex: '@article{Sanna_Hölscher_Schmidt_2014, title={Temperature dependent LiNbO3(0001):
Surface reconstruction and surface charge}, DOI={10.1016/j.apsusc.2014.01.104},
journal={Applied Surface Science}, author={Sanna, S. and Hölscher, R. and Schmidt,
Wolf Gero}, year={2014}, pages={70–78} }'
chicago: 'Sanna, S., R. Hölscher, and Wolf Gero Schmidt. “Temperature Dependent
LiNbO3(0001): Surface Reconstruction and Surface Charge.” Applied Surface Science,
2014, 70–78. https://doi.org/10.1016/j.apsusc.2014.01.104.'
ieee: 'S. Sanna, R. Hölscher, and W. G. Schmidt, “Temperature dependent LiNbO3(0001):
Surface reconstruction and surface charge,” Applied Surface Science, pp.
70–78, 2014, doi: 10.1016/j.apsusc.2014.01.104.'
mla: 'Sanna, S., et al. “Temperature Dependent LiNbO3(0001): Surface Reconstruction
and Surface Charge.” Applied Surface Science, 2014, pp. 70–78, doi:10.1016/j.apsusc.2014.01.104.'
short: S. Sanna, R. Hölscher, W.G. Schmidt, Applied Surface Science (2014) 70–78.
date_created: 2019-09-30T13:40:10Z
date_updated: 2025-12-05T10:31:53Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '429'
- _id: '27'
doi: 10.1016/j.apsusc.2014.01.104
language:
- iso: eng
page: 70-78
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: Applied Surface Science
publication_identifier:
issn:
- 0169-4332
publication_status: published
status: public
title: 'Temperature dependent LiNbO3(0001): Surface reconstruction and surface charge'
type: journal_article
user_id: '16199'
year: '2014'
...