---
_id: '47993'
abstract:
- lang: eng
text: Structural strain severely impacts material properties, such as the linear
and nonlinear optical response. Moreover, strain plays a key role, e.g., in the
physics of ferroelectrics and, in particular, of their domain walls. μ-Raman spectroscopy
is a well-suited technique for the investigation of such strain effects as it
allows to measure the lattice dynamics locally. However, quantifying and reconstructing
strain fields from Raman maps requires knowledge on the strain dependence of phonon
frequencies. In this paper, we have analyzed both theoretically and experimentally
the phonon frequencies in the widely used ferroelectrics lithium niobate and lithium
tantalate as a function of uniaxial strain via density functional theory and μ-Raman
spectroscopy. Overall, we find a good agreement between our ab initio models and
the experimental data performed with a stress cell. The majority of phonons show
an increase in frequency under compressive strain, whereas the opposite is observed
for tensile strains. Moreover, for E-type phonons, we observe the lifting of degeneracy
already at moderate strain fields (i.e., at ±0.2%) along the x and y directions.
This paper, hence, allows for the systematic analysis of three-dimensional strains
in modern-type bulk and thin-film devices assembled from lithium niobate and tantalate.
article_number: '024420'
article_type: original
author:
- first_name: Ekta
full_name: Singh, Ekta
last_name: Singh
- first_name: Mike N.
full_name: Pionteck, Mike N.
last_name: Pionteck
- first_name: Sven
full_name: Reitzig, Sven
last_name: Reitzig
- first_name: Michael
full_name: Lange, Michael
last_name: Lange
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: Lukas M.
full_name: Eng, Lukas M.
last_name: Eng
- first_name: Simone
full_name: Sanna, Simone
last_name: Sanna
citation:
ama: Singh E, Pionteck MN, Reitzig S, et al. Vibrational properties of LiNbO3 and
LiTaO3 under uniaxial stress. Physical Review Materials. 2023;7(2). doi:10.1103/physrevmaterials.7.024420
apa: Singh, E., Pionteck, M. N., Reitzig, S., Lange, M., Rüsing, M., Eng, L. M.,
& Sanna, S. (2023). Vibrational properties of LiNbO3 and LiTaO3 under uniaxial
stress. Physical Review Materials, 7(2), Article 024420. https://doi.org/10.1103/physrevmaterials.7.024420
bibtex: '@article{Singh_Pionteck_Reitzig_Lange_Rüsing_Eng_Sanna_2023, title={Vibrational
properties of LiNbO3 and LiTaO3 under uniaxial stress}, volume={7}, DOI={10.1103/physrevmaterials.7.024420},
number={2024420}, journal={Physical Review Materials}, publisher={American Physical
Society (APS)}, author={Singh, Ekta and Pionteck, Mike N. and Reitzig, Sven and
Lange, Michael and Rüsing, Michael and Eng, Lukas M. and Sanna, Simone}, year={2023}
}'
chicago: Singh, Ekta, Mike N. Pionteck, Sven Reitzig, Michael Lange, Michael Rüsing,
Lukas M. Eng, and Simone Sanna. “Vibrational Properties of LiNbO3 and LiTaO3 under
Uniaxial Stress.” Physical Review Materials 7, no. 2 (2023). https://doi.org/10.1103/physrevmaterials.7.024420.
ieee: 'E. Singh et al., “Vibrational properties of LiNbO3 and LiTaO3 under
uniaxial stress,” Physical Review Materials, vol. 7, no. 2, Art. no. 024420,
2023, doi: 10.1103/physrevmaterials.7.024420.'
mla: Singh, Ekta, et al. “Vibrational Properties of LiNbO3 and LiTaO3 under Uniaxial
Stress.” Physical Review Materials, vol. 7, no. 2, 024420, American Physical
Society (APS), 2023, doi:10.1103/physrevmaterials.7.024420.
short: E. Singh, M.N. Pionteck, S. Reitzig, M. Lange, M. Rüsing, L.M. Eng, S. Sanna,
Physical Review Materials 7 (2023).
date_created: 2023-10-11T09:06:56Z
date_updated: 2023-10-11T09:08:16Z
doi: 10.1103/physrevmaterials.7.024420
extern: '1'
intvolume: ' 7'
issue: '2'
keyword:
- Physics and Astronomy (miscellaneous)
- General Materials Science
language:
- iso: eng
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
publisher: American Physical Society (APS)
quality_controlled: '1'
status: public
title: Vibrational properties of LiNbO3 and LiTaO3 under uniaxial stress
type: journal_article
user_id: '22501'
volume: 7
year: '2023'
...
---
_id: '22310'
author:
- first_name: Sergej
full_name: Neufeld, Sergej
id: '23261'
last_name: Neufeld
- first_name: Adriana
full_name: Bocchini, Adriana
id: '58349'
last_name: Bocchini
orcid: https://orcid.org/0000-0002-2134-3075
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
citation:
ama: Neufeld S, Bocchini A, Schmidt WG. Potassium titanyl phosphate Z- and Y-cut
surfaces from density-functional theory. Physical Review Materials. Published
online 2021. doi:10.1103/physrevmaterials.5.064407
apa: Neufeld, S., Bocchini, A., & Schmidt, W. G. (2021). Potassium titanyl phosphate
Z- and Y-cut surfaces from density-functional theory. Physical Review Materials.
https://doi.org/10.1103/physrevmaterials.5.064407
bibtex: '@article{Neufeld_Bocchini_Schmidt_2021, title={Potassium titanyl phosphate
Z- and Y-cut surfaces from density-functional theory}, DOI={10.1103/physrevmaterials.5.064407},
journal={Physical Review Materials}, author={Neufeld, Sergej and Bocchini, Adriana
and Schmidt, Wolf Gero}, year={2021} }'
chicago: Neufeld, Sergej, Adriana Bocchini, and Wolf Gero Schmidt. “Potassium Titanyl
Phosphate Z- and Y-Cut Surfaces from Density-Functional Theory.” Physical Review
Materials, 2021. https://doi.org/10.1103/physrevmaterials.5.064407.
ieee: 'S. Neufeld, A. Bocchini, and W. G. Schmidt, “Potassium titanyl phosphate
Z- and Y-cut surfaces from density-functional theory,” Physical Review Materials,
2021, doi: 10.1103/physrevmaterials.5.064407.'
mla: Neufeld, Sergej, et al. “Potassium Titanyl Phosphate Z- and Y-Cut Surfaces
from Density-Functional Theory.” Physical Review Materials, 2021, doi:10.1103/physrevmaterials.5.064407.
short: S. Neufeld, A. Bocchini, W.G. Schmidt, Physical Review Materials (2021).
date_created: 2021-06-14T17:34:35Z
date_updated: 2023-04-20T14:08:07Z
department:
- _id: '15'
- _id: '295'
- _id: '170'
- _id: '429'
- _id: '230'
- _id: '35'
doi: 10.1103/physrevmaterials.5.064407
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: '69'
name: 'TRR 142 - B4: TRR 142 - Subproject B4'
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
status: public
title: Potassium titanyl phosphate Z- and Y-cut surfaces from density-functional theory
type: journal_article
user_id: '16199'
year: '2021'
...
---
_id: '21797'
author:
- first_name: T.
full_name: Riedl, T.
last_name: Riedl
- first_name: V. S.
full_name: Kunnathully, V. S.
last_name: Kunnathully
- first_name: A.
full_name: Trapp, A.
last_name: Trapp
- first_name: T.
full_name: Langer, T.
last_name: Langer
- first_name: Dirk
full_name: Reuter, Dirk
id: '37763'
last_name: Reuter
- first_name: J. K. N.
full_name: Lindner, J. K. N.
last_name: Lindner
citation:
ama: Riedl T, Kunnathully VS, Trapp A, Langer T, Reuter D, Lindner JKN. Strain-driven
InAs island growth on top of GaAs(111) nanopillars. Physical Review Materials.
2020. doi:10.1103/physrevmaterials.4.014602
apa: Riedl, T., Kunnathully, V. S., Trapp, A., Langer, T., Reuter, D., & Lindner,
J. K. N. (2020). Strain-driven InAs island growth on top of GaAs(111) nanopillars.
Physical Review Materials. https://doi.org/10.1103/physrevmaterials.4.014602
bibtex: '@article{Riedl_Kunnathully_Trapp_Langer_Reuter_Lindner_2020, title={Strain-driven
InAs island growth on top of GaAs(111) nanopillars}, DOI={10.1103/physrevmaterials.4.014602},
journal={Physical Review Materials}, author={Riedl, T. and Kunnathully, V. S.
and Trapp, A. and Langer, T. and Reuter, Dirk and Lindner, J. K. N.}, year={2020}
}'
chicago: Riedl, T., V. S. Kunnathully, A. Trapp, T. Langer, Dirk Reuter, and J.
K. N. Lindner. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.”
Physical Review Materials, 2020. https://doi.org/10.1103/physrevmaterials.4.014602.
ieee: T. Riedl, V. S. Kunnathully, A. Trapp, T. Langer, D. Reuter, and J. K. N.
Lindner, “Strain-driven InAs island growth on top of GaAs(111) nanopillars,” Physical
Review Materials, 2020.
mla: Riedl, T., et al. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.”
Physical Review Materials, 2020, doi:10.1103/physrevmaterials.4.014602.
short: T. Riedl, V.S. Kunnathully, A. Trapp, T. Langer, D. Reuter, J.K.N. Lindner,
Physical Review Materials (2020).
date_created: 2021-04-26T07:27:11Z
date_updated: 2022-01-06T06:55:13Z
department:
- _id: '15'
- _id: '230'
doi: 10.1103/physrevmaterials.4.014602
language:
- iso: eng
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
status: public
title: Strain-driven InAs island growth on top of GaAs(111) nanopillars
type: journal_article
user_id: '42514'
year: '2020'
...
---
_id: '15714'
author:
- first_name: T.
full_name: Riedl, T.
last_name: Riedl
- first_name: V. S.
full_name: Kunnathully, V. S.
last_name: Kunnathully
- first_name: A.
full_name: Trapp, A.
last_name: Trapp
- first_name: T.
full_name: Langer, T.
last_name: Langer
- first_name: D.
full_name: Reuter, D.
last_name: Reuter
- first_name: J. K. N.
full_name: Lindner, J. K. N.
last_name: Lindner
citation:
ama: Riedl T, Kunnathully VS, Trapp A, Langer T, Reuter D, Lindner JKN. Strain-driven
InAs island growth on top of GaAs(111) nanopillars. Physical Review Materials.
2020. doi:10.1103/physrevmaterials.4.014602
apa: Riedl, T., Kunnathully, V. S., Trapp, A., Langer, T., Reuter, D., & Lindner,
J. K. N. (2020). Strain-driven InAs island growth on top of GaAs(111) nanopillars.
Physical Review Materials. https://doi.org/10.1103/physrevmaterials.4.014602
bibtex: '@article{Riedl_Kunnathully_Trapp_Langer_Reuter_Lindner_2020, title={Strain-driven
InAs island growth on top of GaAs(111) nanopillars}, DOI={10.1103/physrevmaterials.4.014602},
journal={Physical Review Materials}, author={Riedl, T. and Kunnathully, V. S.
and Trapp, A. and Langer, T. and Reuter, D. and Lindner, J. K. N.}, year={2020}
}'
chicago: Riedl, T., V. S. Kunnathully, A. Trapp, T. Langer, D. Reuter, and J. K.
N. Lindner. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.”
Physical Review Materials, 2020. https://doi.org/10.1103/physrevmaterials.4.014602.
ieee: T. Riedl, V. S. Kunnathully, A. Trapp, T. Langer, D. Reuter, and J. K. N.
Lindner, “Strain-driven InAs island growth on top of GaAs(111) nanopillars,” Physical
Review Materials, 2020.
mla: Riedl, T., et al. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.”
Physical Review Materials, 2020, doi:10.1103/physrevmaterials.4.014602.
short: T. Riedl, V.S. Kunnathully, A. Trapp, T. Langer, D. Reuter, J.K.N. Lindner,
Physical Review Materials (2020).
date_created: 2020-01-29T08:37:47Z
date_updated: 2022-01-06T06:52:32Z
department:
- _id: '15'
- _id: '230'
doi: 10.1103/physrevmaterials.4.014602
language:
- iso: eng
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
status: public
title: Strain-driven InAs island growth on top of GaAs(111) nanopillars
type: journal_article
user_id: '42514'
year: '2020'
...
---
_id: '34093'
article_number: '014602'
author:
- first_name: Thomas
full_name: Riedl, Thomas
id: '36950'
last_name: Riedl
- first_name: V. S.
full_name: Kunnathully, V. S.
last_name: Kunnathully
- first_name: A.
full_name: Trapp, A.
last_name: Trapp
- first_name: T.
full_name: Langer, T.
last_name: Langer
- first_name: Dirk
full_name: Reuter, Dirk
id: '37763'
last_name: Reuter
- first_name: Jörg
full_name: Lindner, Jörg
id: '20797'
last_name: Lindner
citation:
ama: Riedl T, Kunnathully VS, Trapp A, Langer T, Reuter D, Lindner J. Strain-driven
InAs island growth on top of GaAs(111) nanopillars. Physical Review Materials.
2020;4(1). doi:10.1103/physrevmaterials.4.014602
apa: Riedl, T., Kunnathully, V. S., Trapp, A., Langer, T., Reuter, D., & Lindner,
J. (2020). Strain-driven InAs island growth on top of GaAs(111) nanopillars. Physical
Review Materials, 4(1), Article 014602. https://doi.org/10.1103/physrevmaterials.4.014602
bibtex: '@article{Riedl_Kunnathully_Trapp_Langer_Reuter_Lindner_2020, title={Strain-driven
InAs island growth on top of GaAs(111) nanopillars}, volume={4}, DOI={10.1103/physrevmaterials.4.014602},
number={1014602}, journal={Physical Review Materials}, publisher={American Physical
Society (APS)}, author={Riedl, Thomas and Kunnathully, V. S. and Trapp, A. and
Langer, T. and Reuter, Dirk and Lindner, Jörg}, year={2020} }'
chicago: Riedl, Thomas, V. S. Kunnathully, A. Trapp, T. Langer, Dirk Reuter, and
Jörg Lindner. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.”
Physical Review Materials 4, no. 1 (2020). https://doi.org/10.1103/physrevmaterials.4.014602.
ieee: 'T. Riedl, V. S. Kunnathully, A. Trapp, T. Langer, D. Reuter, and J. Lindner,
“Strain-driven InAs island growth on top of GaAs(111) nanopillars,” Physical
Review Materials, vol. 4, no. 1, Art. no. 014602, 2020, doi: 10.1103/physrevmaterials.4.014602.'
mla: Riedl, Thomas, et al. “Strain-Driven InAs Island Growth on Top of GaAs(111)
Nanopillars.” Physical Review Materials, vol. 4, no. 1, 014602, American
Physical Society (APS), 2020, doi:10.1103/physrevmaterials.4.014602.
short: T. Riedl, V.S. Kunnathully, A. Trapp, T. Langer, D. Reuter, J. Lindner, Physical
Review Materials 4 (2020).
date_created: 2022-11-15T14:21:41Z
date_updated: 2023-01-10T12:12:13Z
department:
- _id: '15'
- _id: '230'
doi: 10.1103/physrevmaterials.4.014602
intvolume: ' 4'
issue: '1'
keyword:
- Physics and Astronomy (miscellaneous)
- General Materials Science
language:
- iso: eng
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Strain-driven InAs island growth on top of GaAs(111) nanopillars
type: journal_article
user_id: '77496'
volume: 4
year: '2020'
...
---
_id: '23831'
author:
- first_name: Elias
full_name: Baron, Elias
last_name: Baron
- first_name: Rüdiger
full_name: Goldhahn, Rüdiger
last_name: Goldhahn
- first_name: Michael
full_name: Deppe, Michael
last_name: Deppe
- first_name: Donat Josef
full_name: As, Donat Josef
id: '14'
last_name: As
orcid: 0000-0003-1121-3565
- first_name: Martin
full_name: Feneberg, Martin
last_name: Feneberg
citation:
ama: Baron E, Goldhahn R, Deppe M, As DJ, Feneberg M. Influence of the free-electron
concentration on the optical properties of zincblende GaN up to 1×1020cm−3. Physical
Review Materials. 2019. doi:10.1103/physrevmaterials.3.104603
apa: Baron, E., Goldhahn, R., Deppe, M., As, D. J., & Feneberg, M. (2019). Influence
of the free-electron concentration on the optical properties of zincblende GaN
up to 1×1020cm−3. Physical Review Materials. https://doi.org/10.1103/physrevmaterials.3.104603
bibtex: '@article{Baron_Goldhahn_Deppe_As_Feneberg_2019, title={Influence of the
free-electron concentration on the optical properties of zincblende GaN up to
1×1020cm−3}, DOI={10.1103/physrevmaterials.3.104603},
journal={Physical Review Materials}, author={Baron, Elias and Goldhahn, Rüdiger
and Deppe, Michael and As, Donat Josef and Feneberg, Martin}, year={2019} }'
chicago: Baron, Elias, Rüdiger Goldhahn, Michael Deppe, Donat Josef As, and Martin
Feneberg. “Influence of the Free-Electron Concentration on the Optical Properties
of Zincblende GaN up to 1×1020cm−3.” Physical Review Materials, 2019. https://doi.org/10.1103/physrevmaterials.3.104603.
ieee: E. Baron, R. Goldhahn, M. Deppe, D. J. As, and M. Feneberg, “Influence of
the free-electron concentration on the optical properties of zincblende GaN up
to 1×1020cm−3,” Physical Review Materials, 2019.
mla: Baron, Elias, et al. “Influence of the Free-Electron Concentration on the Optical
Properties of Zincblende GaN up to 1×1020cm−3.” Physical Review Materials,
2019, doi:10.1103/physrevmaterials.3.104603.
short: E. Baron, R. Goldhahn, M. Deppe, D.J. As, M. Feneberg, Physical Review Materials
(2019).
date_created: 2021-09-07T08:40:08Z
date_updated: 2022-01-06T06:56:01Z
department:
- _id: '230'
- _id: '429'
doi: 10.1103/physrevmaterials.3.104603
language:
- iso: eng
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
status: public
title: Influence of the free-electron concentration on the optical properties of zincblende
GaN up to 1×1020cm−3
type: journal_article
user_id: '14'
year: '2019'
...
---
_id: '13966'
author:
- first_name: Elias
full_name: Baron, Elias
last_name: Baron
- first_name: Rüdiger
full_name: Goldhahn, Rüdiger
last_name: Goldhahn
- first_name: Michael
full_name: Deppe, Michael
last_name: Deppe
- first_name: Donat Josef
full_name: As, Donat Josef
id: '14'
last_name: As
orcid: 0000-0003-1121-3565
- first_name: Martin
full_name: Feneberg, Martin
last_name: Feneberg
citation:
ama: Baron E, Goldhahn R, Deppe M, As DJ, Feneberg M. Influence of the free-electron
concentration on the optical properties of zincblende GaN up to 1×1020cm−3. Physical
Review Materials. 2019. doi:10.1103/physrevmaterials.3.104603
apa: Baron, E., Goldhahn, R., Deppe, M., As, D. J., & Feneberg, M. (2019). Influence
of the free-electron concentration on the optical properties of zincblende GaN
up to 1×1020cm−3. Physical Review Materials. https://doi.org/10.1103/physrevmaterials.3.104603
bibtex: '@article{Baron_Goldhahn_Deppe_As_Feneberg_2019, title={Influence of the
free-electron concentration on the optical properties of zincblende GaN up to
1×1020cm−3}, DOI={10.1103/physrevmaterials.3.104603},
journal={Physical Review Materials}, author={Baron, Elias and Goldhahn, Rüdiger
and Deppe, Michael and As, Donat Josef and Feneberg, Martin}, year={2019} }'
chicago: Baron, Elias, Rüdiger Goldhahn, Michael Deppe, Donat Josef As, and Martin
Feneberg. “Influence of the Free-Electron Concentration on the Optical Properties
of Zincblende GaN up to 1×1020cm−3.” Physical Review Materials, 2019. https://doi.org/10.1103/physrevmaterials.3.104603.
ieee: E. Baron, R. Goldhahn, M. Deppe, D. J. As, and M. Feneberg, “Influence of
the free-electron concentration on the optical properties of zincblende GaN up
to 1×1020cm−3,” Physical Review Materials, 2019.
mla: Baron, Elias, et al. “Influence of the Free-Electron Concentration on the Optical
Properties of Zincblende GaN up to 1×1020cm−3.” Physical Review Materials,
2019, doi:10.1103/physrevmaterials.3.104603.
short: E. Baron, R. Goldhahn, M. Deppe, D.J. As, M. Feneberg, Physical Review Materials
(2019).
date_created: 2019-10-22T12:27:30Z
date_updated: 2022-01-06T06:51:48Z
department:
- _id: '230'
- _id: '429'
doi: 10.1103/physrevmaterials.3.104603
language:
- iso: eng
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
status: public
title: Influence of the free-electron concentration on the optical properties of zincblende
GaN up to 1×1020cm−3
type: journal_article
user_id: '14'
year: '2019'
...
---
_id: '13406'
author:
- first_name: Z.
full_name: Mamiyev, Z.
last_name: Mamiyev
- first_name: T.
full_name: Lichtenstein, T.
last_name: Lichtenstein
- first_name: C.
full_name: Tegenkamp, C.
last_name: Tegenkamp
- first_name: Christian
full_name: Braun, Christian
id: '28675'
last_name: Braun
orcid: 0000-0002-3224-2683
- 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
- first_name: H.
full_name: Pfnür, H.
last_name: Pfnür
citation:
ama: 'Mamiyev Z, Lichtenstein T, Tegenkamp C, et al. Plasmon spectroscopy: Robust
metallicity of Au wires on Si(557) upon oxidation. Physical Review Materials.
2018;2(6). doi:10.1103/physrevmaterials.2.066002'
apa: 'Mamiyev, Z., Lichtenstein, T., Tegenkamp, C., Braun, C., Schmidt, W. G., Sanna,
S., & Pfnür, H. (2018). Plasmon spectroscopy: Robust metallicity of Au wires
on Si(557) upon oxidation. Physical Review Materials, 2(6). https://doi.org/10.1103/physrevmaterials.2.066002'
bibtex: '@article{Mamiyev_Lichtenstein_Tegenkamp_Braun_Schmidt_Sanna_Pfnür_2018,
title={Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation},
volume={2}, DOI={10.1103/physrevmaterials.2.066002},
number={6}, journal={Physical Review Materials}, author={Mamiyev, Z. and Lichtenstein,
T. and Tegenkamp, C. and Braun, Christian and Schmidt, Wolf Gero and Sanna, S.
and Pfnür, H.}, year={2018} }'
chicago: 'Mamiyev, Z., T. Lichtenstein, C. Tegenkamp, Christian Braun, Wolf Gero
Schmidt, S. Sanna, and H. Pfnür. “Plasmon Spectroscopy: Robust Metallicity of
Au Wires on Si(557) upon Oxidation.” Physical Review Materials 2, no. 6
(2018). https://doi.org/10.1103/physrevmaterials.2.066002.'
ieee: 'Z. Mamiyev et al., “Plasmon spectroscopy: Robust metallicity of Au
wires on Si(557) upon oxidation,” Physical Review Materials, vol. 2, no.
6, 2018, doi: 10.1103/physrevmaterials.2.066002.'
mla: 'Mamiyev, Z., et al. “Plasmon Spectroscopy: Robust Metallicity of Au Wires
on Si(557) upon Oxidation.” Physical Review Materials, vol. 2, no. 6, 2018,
doi:10.1103/physrevmaterials.2.066002.'
short: Z. Mamiyev, T. Lichtenstein, C. Tegenkamp, C. Braun, W.G. Schmidt, S. Sanna,
H. Pfnür, Physical Review Materials 2 (2018).
date_created: 2019-09-20T11:11:55Z
date_updated: 2023-04-20T14:25:07Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
doi: 10.1103/physrevmaterials.2.066002
funded_apc: '1'
intvolume: ' 2'
issue: '6'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
- _id: '52'
name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
status: public
title: 'Plasmon spectroscopy: Robust metallicity of Au wires on Si(557) upon oxidation'
type: journal_article
user_id: '16199'
volume: 2
year: '2018'
...
---
_id: '4769'
abstract:
- lang: eng
text: "In recent years, Raman spectroscopy has been used to visualize and analyze
ferroelectric domain structures.\r\nThe technique makes use of the fact that the
intensity or frequency of certain phonons is strongly influenced\r\nby the presence
of domain walls. Although the method is used frequently, the underlying mechanism
responsible\r\nfor the changes in the spectra is not fully understood. This inhibits
deeper analysis of domain structures based\r\non this method. Two different models
have been proposed. However, neither model completely explains all\r\nobservations.
In this work, we have systematically investigated domain walls in different scattering
geometries\r\nwith Raman spectroscopy in the common ferroelectric materials used
in integrated optics, i.e., KTiOPO4,\r\nLiNbO3, and LiTaO3. Based on the two models,
we can demonstrate that the observed contrast for domain\r\nwalls is in fact based
on two different effects. We can identify on the one hand microscopic changes
at the\r\ndomain wall, e.g., strain and electric fields, and on the other hand
a macroscopic change of selection rules at the\r\ndomain wall. While the macroscopic
relaxation of selection rules can be explained by the directional dispersion\r\nof
the phonons in agreement with previous propositions, the microscopic changes can
be explained qualitatively\r\nin terms of a simplified atomistic model."
article_type: original
author:
- first_name: Michael
full_name: Rüsing, Michael
id: '22501'
last_name: Rüsing
orcid: 0000-0003-4682-4577
- first_name: Sergej
full_name: Neufeld, Sergej
id: '23261'
last_name: Neufeld
- first_name: Julian
full_name: Brockmeier, Julian
id: '44807'
last_name: Brockmeier
- 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: K.
full_name: Spychala, K.
last_name: Spychala
- first_name: Christine
full_name: Silberhorn, Christine
id: '26263'
last_name: Silberhorn
- first_name: Wolf Gero
full_name: Schmidt, Wolf Gero
id: '468'
last_name: Schmidt
orcid: 0000-0002-2717-5076
- 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: S.
full_name: Sanna, S.
last_name: Sanna
citation:
ama: 'Rüsing M, Neufeld S, Brockmeier J, et al. Imaging of 180∘ ferroelectric domain
walls in uniaxial ferroelectrics by confocal Raman spectroscopy: Unraveling the
contrast mechanism. Physical Review Materials. 2018;2(10). doi:10.1103/physrevmaterials.2.103801'
apa: 'Rüsing, M., Neufeld, S., Brockmeier, J., Eigner, C., Mackwitz, P., Spychala,
K., Silberhorn, C., Schmidt, W. G., Berth, G., Zrenner, A., & Sanna, S. (2018).
Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal
Raman spectroscopy: Unraveling the contrast mechanism. Physical Review Materials,
2(10). https://doi.org/10.1103/physrevmaterials.2.103801'
bibtex: '@article{Rüsing_Neufeld_Brockmeier_Eigner_Mackwitz_Spychala_Silberhorn_Schmidt_Berth_Zrenner_et
al._2018, title={Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics
by confocal Raman spectroscopy: Unraveling the contrast mechanism}, volume={2},
DOI={10.1103/physrevmaterials.2.103801},
number={10}, journal={Physical Review Materials}, publisher={American Physical
Society (APS)}, author={Rüsing, Michael and Neufeld, Sergej and Brockmeier, Julian
and Eigner, Christof and Mackwitz, P. and Spychala, K. and Silberhorn, Christine
and Schmidt, Wolf Gero and Berth, Gerhard and Zrenner, Artur and et al.}, year={2018}
}'
chicago: 'Rüsing, Michael, Sergej Neufeld, Julian Brockmeier, Christof Eigner, P.
Mackwitz, K. Spychala, Christine Silberhorn, et al. “Imaging of 180∘ Ferroelectric
Domain Walls in Uniaxial Ferroelectrics by Confocal Raman Spectroscopy: Unraveling
the Contrast Mechanism.” Physical Review Materials 2, no. 10 (2018). https://doi.org/10.1103/physrevmaterials.2.103801.'
ieee: 'M. Rüsing et al., “Imaging of 180∘ ferroelectric domain walls in uniaxial
ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism,”
Physical Review Materials, vol. 2, no. 10, 2018, doi: 10.1103/physrevmaterials.2.103801.'
mla: 'Rüsing, Michael, et al. “Imaging of 180∘ Ferroelectric Domain Walls in Uniaxial
Ferroelectrics by Confocal Raman Spectroscopy: Unraveling the Contrast Mechanism.”
Physical Review Materials, vol. 2, no. 10, American Physical Society (APS),
2018, doi:10.1103/physrevmaterials.2.103801.'
short: M. Rüsing, S. Neufeld, J. Brockmeier, C. Eigner, P. Mackwitz, K. Spychala,
C. Silberhorn, W.G. Schmidt, G. Berth, A. Zrenner, S. Sanna, Physical Review Materials
2 (2018).
date_created: 2018-10-18T08:50:47Z
date_updated: 2023-10-11T09:01:48Z
department:
- _id: '15'
- _id: '230'
- _id: '35'
- _id: '288'
doi: 10.1103/physrevmaterials.2.103801
intvolume: ' 2'
issue: '10'
language:
- iso: eng
project:
- _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: '70'
grant_number: '231447078'
name: TRR 142 - Subproject B5
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
publisher: American Physical Society (APS)
status: public
title: 'Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal
Raman spectroscopy: Unraveling the contrast mechanism'
type: journal_article
user_id: '22501'
volume: 2
year: '2018'
...
---
_id: '13415'
author:
- first_name: Christian
full_name: Braun, Christian
id: '28675'
last_name: Braun
orcid: 0000-0002-3224-2683
- first_name: Conor
full_name: Hogan, Conor
last_name: Hogan
- first_name: Sandhya
full_name: Chandola, Sandhya
last_name: Chandola
- first_name: Norbert
full_name: Esser, Norbert
last_name: Esser
- 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, Hogan C, Chandola S, Esser N, Sanna S, Schmidt WG. Si(775)-Au atomic
chains: Geometry, optical properties, and spin order. Physical Review Materials.
2017;1(5). doi:10.1103/physrevmaterials.1.055002'
apa: 'Braun, C., Hogan, C., Chandola, S., Esser, N., Sanna, S., & Schmidt, W.
G. (2017). Si(775)-Au atomic chains: Geometry, optical properties, and spin order.
Physical Review Materials, 1(5). https://doi.org/10.1103/physrevmaterials.1.055002'
bibtex: '@article{Braun_Hogan_Chandola_Esser_Sanna_Schmidt_2017, title={Si(775)-Au
atomic chains: Geometry, optical properties, and spin order}, volume={1}, DOI={10.1103/physrevmaterials.1.055002},
number={5}, journal={Physical Review Materials}, author={Braun, Christian and
Hogan, Conor and Chandola, Sandhya and Esser, Norbert and Sanna, Simone and Schmidt,
Wolf Gero}, year={2017} }'
chicago: 'Braun, Christian, Conor Hogan, Sandhya Chandola, Norbert Esser, Simone
Sanna, and Wolf Gero Schmidt. “Si(775)-Au Atomic Chains: Geometry, Optical Properties,
and Spin Order.” Physical Review Materials 1, no. 5 (2017). https://doi.org/10.1103/physrevmaterials.1.055002.'
ieee: 'C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, and W. G. Schmidt, “Si(775)-Au
atomic chains: Geometry, optical properties, and spin order,” Physical Review
Materials, vol. 1, no. 5, 2017.'
mla: 'Braun, Christian, et al. “Si(775)-Au Atomic Chains: Geometry, Optical Properties,
and Spin Order.” Physical Review Materials, vol. 1, no. 5, 2017, doi:10.1103/physrevmaterials.1.055002.'
short: C. Braun, C. Hogan, S. Chandola, N. Esser, S. Sanna, W.G. Schmidt, Physical
Review Materials 1 (2017).
date_created: 2019-09-20T11:48:15Z
date_updated: 2022-01-06T06:51:35Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
doi: 10.1103/physrevmaterials.1.055002
funded_apc: '1'
intvolume: ' 1'
issue: '5'
language:
- iso: eng
project:
- _id: '52'
name: Computing Resources Provided by the Paderborn Center for Parallel Computing
publication: Physical Review Materials
publication_identifier:
issn:
- 2475-9953
publication_status: published
status: public
title: 'Si(775)-Au atomic chains: Geometry, optical properties, and spin order'
type: journal_article
user_id: '16199'
volume: 1
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). 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, 2017.
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: 2022-01-06T06:51:35Z
ddc:
- '530'
department:
- _id: '295'
- _id: '296'
- _id: '230'
- _id: '429'
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: '458'
volume: 1
year: '2017'
...