---
_id: '61328'
article_number: '094407'
author:
- first_name: Zhuoqun
  full_name: Wang, Zhuoqun
  last_name: Wang
- first_name: Xueling
  full_name: Cui, Xueling
  last_name: Cui
- first_name: Tim
  full_name: Treu, Tim
  last_name: Treu
- first_name: Jiesen
  full_name: Guo, Jiesen
  last_name: Guo
- first_name: Xinyang
  full_name: Liu, Xinyang
  last_name: Liu
- first_name: Marvin
  full_name: Klinger, Marvin
  last_name: Klinger
- first_name: Christian
  full_name: Heil, Christian
  id: '120539'
  last_name: Heil
  orcid: 0009-0006-4365-5607
- first_name: Nvsen
  full_name: Ma, Nvsen
  last_name: Ma
- first_name: Xianlei
  full_name: Sheng, Xianlei
  last_name: Sheng
- first_name: Zheng
  full_name: Deng, Zheng
  last_name: Deng
- first_name: Xingye
  full_name: Lu, Xingye
  last_name: Lu
- first_name: Xiancheng
  full_name: Wang, Xiancheng
  last_name: Wang
- first_name: Wei
  full_name: Li, Wei
  last_name: Li
- first_name: Philipp
  full_name: Gegenwart, Philipp
  last_name: Gegenwart
- first_name: Changqing
  full_name: Jin, Changqing
  last_name: Jin
- first_name: Kan
  full_name: Zhao, Kan
  last_name: Zhao
citation:
  ama: Wang Z, Cui X, Treu T, et al. Antiferromagnetic ordering and critical behavior
    induced giant magnetocaloric effect in distorted kagome lattice <mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi
    mathvariant="normal">G</mml:mi><mml:msub><mml:mi mathvariant="normal">d</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi>BW</mml:mi><mml:msub><mml:mi
    mathvariant="normal">O</mml:mi><mml:mn>9</mml:mn></mml:msub></mml:mrow></mml:math>.
    <i>Physical Review Materials</i>. 2025;9(9). doi:<a href="https://doi.org/10.1103/7l6y-hdw5">10.1103/7l6y-hdw5</a>
  apa: Wang, Z., Cui, X., Treu, T., Guo, J., Liu, X., Klinger, M., Heil, C., Ma, N.,
    Sheng, X., Deng, Z., Lu, X., Wang, X., Li, W., Gegenwart, P., Jin, C., &#38; Zhao,
    K. (2025). Antiferromagnetic ordering and critical behavior induced giant magnetocaloric
    effect in distorted kagome lattice &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:mrow&#62;&#60;mml:mi
    mathvariant="normal"&#62;G&#60;/mml:mi&#62;&#60;mml:msub&#62;&#60;mml:mi mathvariant="normal"&#62;d&#60;/mml:mi&#62;&#60;mml:mn&#62;3&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;mml:mi&#62;BW&#60;/mml:mi&#62;&#60;mml:msub&#62;&#60;mml:mi
    mathvariant="normal"&#62;O&#60;/mml:mi&#62;&#60;mml:mn&#62;9&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;/mml:mrow&#62;&#60;/mml:math&#62;.
    <i>Physical Review Materials</i>, <i>9</i>(9), Article 094407. <a href="https://doi.org/10.1103/7l6y-hdw5">https://doi.org/10.1103/7l6y-hdw5</a>
  bibtex: '@article{Wang_Cui_Treu_Guo_Liu_Klinger_Heil_Ma_Sheng_Deng_et al._2025,
    title={Antiferromagnetic ordering and critical behavior induced giant magnetocaloric
    effect in distorted kagome lattice &#60;mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:mrow&#62;&#60;mml:mi
    mathvariant="normal"&#62;G&#60;/mml:mi&#62;&#60;mml:msub&#62;&#60;mml:mi mathvariant="normal"&#62;d&#60;/mml:mi&#62;&#60;mml:mn&#62;3&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;mml:mi&#62;BW&#60;/mml:mi&#62;&#60;mml:msub&#62;&#60;mml:mi
    mathvariant="normal"&#62;O&#60;/mml:mi&#62;&#60;mml:mn&#62;9&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;/mml:mrow&#62;&#60;/mml:math&#62;},
    volume={9}, DOI={<a href="https://doi.org/10.1103/7l6y-hdw5">10.1103/7l6y-hdw5</a>},
    number={9094407}, journal={Physical Review Materials}, publisher={American Physical
    Society (APS)}, author={Wang, Zhuoqun and Cui, Xueling and Treu, Tim and Guo,
    Jiesen and Liu, Xinyang and Klinger, Marvin and Heil, Christian and Ma, Nvsen
    and Sheng, Xianlei and Deng, Zheng and et al.}, year={2025} }'
  chicago: Wang, Zhuoqun, Xueling Cui, Tim Treu, Jiesen Guo, Xinyang Liu, Marvin Klinger,
    Christian Heil, et al. “Antiferromagnetic Ordering and Critical Behavior Induced
    Giant Magnetocaloric Effect in Distorted Kagome Lattice &#60;mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"&#62;&#60;mml:Mrow&#62;&#60;mml:Mi
    Mathvariant="normal"&#62;G&#60;/Mml:Mi&#62;&#60;mml:Msub&#62;&#60;mml:Mi Mathvariant="normal"&#62;d&#60;/Mml:Mi&#62;&#60;mml:Mn&#62;3&#60;/Mml:Mn&#62;&#60;/Mml:Msub&#62;&#60;mml:Mi&#62;BW&#60;/Mml:Mi&#62;&#60;mml:Msub&#62;&#60;mml:Mi
    Mathvariant="normal"&#62;O&#60;/Mml:Mi&#62;&#60;mml:Mn&#62;9&#60;/Mml:Mn&#62;&#60;/Mml:Msub&#62;&#60;/Mml:Mrow&#62;&#60;/Mml:Math&#62;.”
    <i>Physical Review Materials</i> 9, no. 9 (2025). <a href="https://doi.org/10.1103/7l6y-hdw5">https://doi.org/10.1103/7l6y-hdw5</a>.
  ieee: 'Z. Wang <i>et al.</i>, “Antiferromagnetic ordering and critical behavior
    induced giant magnetocaloric effect in distorted kagome lattice &#60;mml:math
    xmlns:mml="http://www.w3.org/1998/Math/MathML"&#62;&#60;mml:mrow&#62;&#60;mml:mi
    mathvariant="normal"&#62;G&#60;/mml:mi&#62;&#60;mml:msub&#62;&#60;mml:mi mathvariant="normal"&#62;d&#60;/mml:mi&#62;&#60;mml:mn&#62;3&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;mml:mi&#62;BW&#60;/mml:mi&#62;&#60;mml:msub&#62;&#60;mml:mi
    mathvariant="normal"&#62;O&#60;/mml:mi&#62;&#60;mml:mn&#62;9&#60;/mml:mn&#62;&#60;/mml:msub&#62;&#60;/mml:mrow&#62;&#60;/mml:math&#62;,”
    <i>Physical Review Materials</i>, vol. 9, no. 9, Art. no. 094407, 2025, doi: <a
    href="https://doi.org/10.1103/7l6y-hdw5">10.1103/7l6y-hdw5</a>.'
  mla: Wang, Zhuoqun, et al. “Antiferromagnetic Ordering and Critical Behavior Induced
    Giant Magnetocaloric Effect in Distorted Kagome Lattice &#60;mml:Math Xmlns:Mml="http://Www.W3.Org/1998/Math/MathML"&#62;&#60;mml:Mrow&#62;&#60;mml:Mi
    Mathvariant="normal"&#62;G&#60;/Mml:Mi&#62;&#60;mml:Msub&#62;&#60;mml:Mi Mathvariant="normal"&#62;d&#60;/Mml:Mi&#62;&#60;mml:Mn&#62;3&#60;/Mml:Mn&#62;&#60;/Mml:Msub&#62;&#60;mml:Mi&#62;BW&#60;/Mml:Mi&#62;&#60;mml:Msub&#62;&#60;mml:Mi
    Mathvariant="normal"&#62;O&#60;/Mml:Mi&#62;&#60;mml:Mn&#62;9&#60;/Mml:Mn&#62;&#60;/Mml:Msub&#62;&#60;/Mml:Mrow&#62;&#60;/Mml:Math&#62;.”
    <i>Physical Review Materials</i>, vol. 9, no. 9, 094407, American Physical Society
    (APS), 2025, doi:<a href="https://doi.org/10.1103/7l6y-hdw5">10.1103/7l6y-hdw5</a>.
  short: Z. Wang, X. Cui, T. Treu, J. Guo, X. Liu, M. Klinger, C. Heil, N. Ma, X.
    Sheng, Z. Deng, X. Lu, X. Wang, W. Li, P. Gegenwart, C. Jin, K. Zhao, Physical
    Review Materials 9 (2025).
date_created: 2025-09-17T13:08:11Z
date_updated: 2025-09-17T14:21:31Z
doi: 10.1103/7l6y-hdw5
intvolume: '         9'
issue: '9'
language:
- iso: eng
publication: Physical Review Materials
publication_identifier:
  issn:
  - 2475-9953
publication_status: published
publisher: American Physical Society (APS)
status: public
title: Antiferromagnetic ordering and critical behavior induced giant magnetocaloric
  effect in distorted kagome lattice <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML"><mml:mrow><mml:mi
  mathvariant="normal">G</mml:mi><mml:msub><mml:mi mathvariant="normal">d</mml:mi><mml:mn>3</mml:mn></mml:msub><mml:mi>BW</mml:mi><mml:msub><mml:mi
  mathvariant="normal">O</mml:mi><mml:mn>9</mml:mn></mml:msub></mml:mrow></mml:math>
type: journal_article
user_id: '120539'
volume: 9
year: '2025'
...
---
_id: '60566'
article_number: '074402'
author:
- first_name: Adriana
  full_name: Bocchini, Adriana
  id: '58349'
  last_name: Bocchini
  orcid: 0000-0002-2134-3075
- first_name: Michael
  full_name: Rüsing, Michael
  id: '22501'
  last_name: Rüsing
  orcid: 0000-0003-4682-4577
- first_name: Laura
  full_name: Bollmers, Laura
  id: '61375'
  last_name: Bollmers
- first_name: Sebastian
  full_name: Lengeling, Sebastian
  id: '44373'
  last_name: Lengeling
- first_name: Philipp
  full_name: Mues, Philipp
  id: '49772'
  last_name: Mues
  orcid: 0000-0003-0643-7636
- first_name: Laura
  full_name: Padberg, Laura
  id: '40300'
  last_name: Padberg
- first_name: Uwe
  full_name: Gerstmann, Uwe
  id: '171'
  last_name: Gerstmann
  orcid: 0000-0002-4476-223X
- first_name: Christine
  full_name: Silberhorn, Christine
  id: '26263'
  last_name: Silberhorn
- first_name: Christof
  full_name: Eigner, Christof
  id: '13244'
  last_name: Eigner
  orcid: https://orcid.org/0000-0002-5693-3083
- first_name: Wolf Gero
  full_name: Schmidt, Wolf Gero
  id: '468'
  last_name: Schmidt
  orcid: 0000-0002-2717-5076
citation:
  ama: 'Bocchini A, Rüsing M, Bollmers L, et al. Mg dopants in lithium niobate: Defect
    models and impact on domain inversion. <i>Physical Review Materials</i>. 2025;9(7).
    doi:<a href="https://doi.org/10.1103/5wz1-bjyr">10.1103/5wz1-bjyr</a>'
  apa: 'Bocchini, A., Rüsing, M., Bollmers, L., Lengeling, S., Mues, P., Padberg,
    L., Gerstmann, U., Silberhorn, C., Eigner, C., &#38; Schmidt, W. G. (2025). Mg
    dopants in lithium niobate: Defect models and impact on domain inversion. <i>Physical
    Review Materials</i>, <i>9</i>(7), Article 074402. <a href="https://doi.org/10.1103/5wz1-bjyr">https://doi.org/10.1103/5wz1-bjyr</a>'
  bibtex: '@article{Bocchini_Rüsing_Bollmers_Lengeling_Mues_Padberg_Gerstmann_Silberhorn_Eigner_Schmidt_2025,
    title={Mg dopants in lithium niobate: Defect models and impact on domain inversion},
    volume={9}, DOI={<a href="https://doi.org/10.1103/5wz1-bjyr">10.1103/5wz1-bjyr</a>},
    number={7074402}, journal={Physical Review Materials}, publisher={American Physical
    Society (APS)}, author={Bocchini, Adriana and Rüsing, Michael and Bollmers, Laura
    and Lengeling, Sebastian and Mues, Philipp and Padberg, Laura and Gerstmann, Uwe
    and Silberhorn, Christine and Eigner, Christof and Schmidt, Wolf Gero}, year={2025}
    }'
  chicago: 'Bocchini, Adriana, Michael Rüsing, Laura Bollmers, Sebastian Lengeling,
    Philipp Mues, Laura Padberg, Uwe Gerstmann, Christine Silberhorn, Christof Eigner,
    and Wolf Gero Schmidt. “Mg Dopants in Lithium Niobate: Defect Models and Impact
    on Domain Inversion.” <i>Physical Review Materials</i> 9, no. 7 (2025). <a href="https://doi.org/10.1103/5wz1-bjyr">https://doi.org/10.1103/5wz1-bjyr</a>.'
  ieee: 'A. Bocchini <i>et al.</i>, “Mg dopants in lithium niobate: Defect models
    and impact on domain inversion,” <i>Physical Review Materials</i>, vol. 9, no.
    7, Art. no. 074402, 2025, doi: <a href="https://doi.org/10.1103/5wz1-bjyr">10.1103/5wz1-bjyr</a>.'
  mla: 'Bocchini, Adriana, et al. “Mg Dopants in Lithium Niobate: Defect Models and
    Impact on Domain Inversion.” <i>Physical Review Materials</i>, vol. 9, no. 7,
    074402, American Physical Society (APS), 2025, doi:<a href="https://doi.org/10.1103/5wz1-bjyr">10.1103/5wz1-bjyr</a>.'
  short: A. Bocchini, M. Rüsing, L. Bollmers, S. Lengeling, P. Mues, L. Padberg, U.
    Gerstmann, C. Silberhorn, C. Eigner, W.G. Schmidt, Physical Review Materials 9
    (2025).
date_created: 2025-07-09T09:13:24Z
date_updated: 2026-03-17T17:50:06Z
ddc:
- '530'
department:
- _id: '15'
- _id: '623'
- _id: '295'
- _id: '790'
- _id: '288'
- _id: '230'
- _id: '429'
- _id: '35'
- _id: '170'
- _id: '169'
- _id: '27'
doi: 10.1103/5wz1-bjyr
file:
- access_level: open_access
  content_type: application/pdf
  creator: adrianab
  date_created: 2025-07-09T09:18:45Z
  date_updated: 2025-07-10T06:43:34Z
  file_id: '60567'
  file_name: Mg_dopants_LN_PRM.pdf
  file_size: 4175120
  relation: main_file
file_date_updated: 2025-07-10T06:43:34Z
has_accepted_license: '1'
intvolume: '         9'
issue: '7'
language:
- iso: eng
main_file_link:
- open_access: '1'
  url: https://link.aps.org/doi/10.1103/5wz1-bjyr
oa: '1'
project:
- _id: '52'
  name: 'PC2: Computing Resources Provided by the Paderborn Center for Parallel Computing'
- _id: '53'
  name: 'TRR 142: TRR 142 - Maßgeschneiderte nichtlineare Photonik: Von grundlegenden
    Konzepten zu funktionellen Strukturen'
- _id: '55'
  name: 'TRR 142 - B: TRR 142 - Project Area B'
- _id: '54'
  name: 'TRR 142 - A: TRR 142 - Project Area A'
- _id: '168'
  name: 'TRR 142 - B07: TRR 142 - Polaronen-Einfluss auf die optischen Eigenschaften
    von Lithiumniobat (B07*)'
- _id: '166'
  name: 'TRR 142 - A11: TRR 142 - Subproject A11'
publication: Physical Review Materials
publication_identifier:
  issn:
  - 2475-9953
publication_status: published
publisher: American Physical Society (APS)
status: public
title: 'Mg dopants in lithium niobate: Defect models and impact on domain inversion'
type: journal_article
user_id: '22501'
volume: 9
year: '2025'
...
---
_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. <i>Physical Review Materials</i>. 2023;7(2). doi:<a
    href="https://doi.org/10.1103/physrevmaterials.7.024420">10.1103/physrevmaterials.7.024420</a>
  apa: Singh, E., Pionteck, M. N., Reitzig, S., Lange, M., Rüsing, M., Eng, L. M.,
    &#38; Sanna, S. (2023). Vibrational properties of LiNbO3 and LiTaO3 under uniaxial
    stress. <i>Physical Review Materials</i>, <i>7</i>(2), Article 024420. <a href="https://doi.org/10.1103/physrevmaterials.7.024420">https://doi.org/10.1103/physrevmaterials.7.024420</a>
  bibtex: '@article{Singh_Pionteck_Reitzig_Lange_Rüsing_Eng_Sanna_2023, title={Vibrational
    properties of LiNbO3 and LiTaO3 under uniaxial stress}, volume={7}, DOI={<a href="https://doi.org/10.1103/physrevmaterials.7.024420">10.1103/physrevmaterials.7.024420</a>},
    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.” <i>Physical Review Materials</i> 7, no. 2 (2023). <a href="https://doi.org/10.1103/physrevmaterials.7.024420">https://doi.org/10.1103/physrevmaterials.7.024420</a>.
  ieee: 'E. Singh <i>et al.</i>, “Vibrational properties of LiNbO3 and LiTaO3 under
    uniaxial stress,” <i>Physical Review Materials</i>, vol. 7, no. 2, Art. no. 024420,
    2023, doi: <a href="https://doi.org/10.1103/physrevmaterials.7.024420">10.1103/physrevmaterials.7.024420</a>.'
  mla: Singh, Ekta, et al. “Vibrational Properties of LiNbO3 and LiTaO3 under Uniaxial
    Stress.” <i>Physical Review Materials</i>, vol. 7, no. 2, 024420, American Physical
    Society (APS), 2023, doi:<a href="https://doi.org/10.1103/physrevmaterials.7.024420">10.1103/physrevmaterials.7.024420</a>.
  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. <i>Physical Review Materials</i>. Published
    online 2021. doi:<a href="https://doi.org/10.1103/physrevmaterials.5.064407">10.1103/physrevmaterials.5.064407</a>
  apa: Neufeld, S., Bocchini, A., &#38; Schmidt, W. G. (2021). Potassium titanyl phosphate
    Z- and Y-cut surfaces from density-functional theory. <i>Physical Review Materials</i>.
    <a href="https://doi.org/10.1103/physrevmaterials.5.064407">https://doi.org/10.1103/physrevmaterials.5.064407</a>
  bibtex: '@article{Neufeld_Bocchini_Schmidt_2021, title={Potassium titanyl phosphate
    Z- and Y-cut surfaces from density-functional theory}, DOI={<a href="https://doi.org/10.1103/physrevmaterials.5.064407">10.1103/physrevmaterials.5.064407</a>},
    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.” <i>Physical Review
    Materials</i>, 2021. <a href="https://doi.org/10.1103/physrevmaterials.5.064407">https://doi.org/10.1103/physrevmaterials.5.064407</a>.
  ieee: 'S. Neufeld, A. Bocchini, and W. G. Schmidt, “Potassium titanyl phosphate
    Z- and Y-cut surfaces from density-functional theory,” <i>Physical Review Materials</i>,
    2021, doi: <a href="https://doi.org/10.1103/physrevmaterials.5.064407">10.1103/physrevmaterials.5.064407</a>.'
  mla: Neufeld, Sergej, et al. “Potassium Titanyl Phosphate Z- and Y-Cut Surfaces
    from Density-Functional Theory.” <i>Physical Review Materials</i>, 2021, doi:<a
    href="https://doi.org/10.1103/physrevmaterials.5.064407">10.1103/physrevmaterials.5.064407</a>.
  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. <i>Physical Review Materials</i>.
    2020. doi:<a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>
  apa: Riedl, T., Kunnathully, V. S., Trapp, A., Langer, T., Reuter, D., &#38; Lindner,
    J. K. N. (2020). Strain-driven InAs island growth on top of GaAs(111) nanopillars.
    <i>Physical Review Materials</i>. <a href="https://doi.org/10.1103/physrevmaterials.4.014602">https://doi.org/10.1103/physrevmaterials.4.014602</a>
  bibtex: '@article{Riedl_Kunnathully_Trapp_Langer_Reuter_Lindner_2020, title={Strain-driven
    InAs island growth on top of GaAs(111) nanopillars}, DOI={<a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>},
    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.”
    <i>Physical Review Materials</i>, 2020. <a href="https://doi.org/10.1103/physrevmaterials.4.014602">https://doi.org/10.1103/physrevmaterials.4.014602</a>.
  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,” <i>Physical
    Review Materials</i>, 2020.
  mla: Riedl, T., et al. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.”
    <i>Physical Review Materials</i>, 2020, doi:<a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>.
  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. <i>Physical Review Materials</i>.
    2020. doi:<a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>
  apa: Riedl, T., Kunnathully, V. S., Trapp, A., Langer, T., Reuter, D., &#38; Lindner,
    J. K. N. (2020). Strain-driven InAs island growth on top of GaAs(111) nanopillars.
    <i>Physical Review Materials</i>. <a href="https://doi.org/10.1103/physrevmaterials.4.014602">https://doi.org/10.1103/physrevmaterials.4.014602</a>
  bibtex: '@article{Riedl_Kunnathully_Trapp_Langer_Reuter_Lindner_2020, title={Strain-driven
    InAs island growth on top of GaAs(111) nanopillars}, DOI={<a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>},
    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.”
    <i>Physical Review Materials</i>, 2020. <a href="https://doi.org/10.1103/physrevmaterials.4.014602">https://doi.org/10.1103/physrevmaterials.4.014602</a>.
  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,” <i>Physical
    Review Materials</i>, 2020.
  mla: Riedl, T., et al. “Strain-Driven InAs Island Growth on Top of GaAs(111) Nanopillars.”
    <i>Physical Review Materials</i>, 2020, doi:<a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>.
  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. <i>Physical Review Materials</i>.
    2020;4(1). doi:<a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>
  apa: Riedl, T., Kunnathully, V. S., Trapp, A., Langer, T., Reuter, D., &#38; Lindner,
    J. (2020). Strain-driven InAs island growth on top of GaAs(111) nanopillars. <i>Physical
    Review Materials</i>, <i>4</i>(1), Article 014602. <a href="https://doi.org/10.1103/physrevmaterials.4.014602">https://doi.org/10.1103/physrevmaterials.4.014602</a>
  bibtex: '@article{Riedl_Kunnathully_Trapp_Langer_Reuter_Lindner_2020, title={Strain-driven
    InAs island growth on top of GaAs(111) nanopillars}, volume={4}, DOI={<a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>},
    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.”
    <i>Physical Review Materials</i> 4, no. 1 (2020). <a href="https://doi.org/10.1103/physrevmaterials.4.014602">https://doi.org/10.1103/physrevmaterials.4.014602</a>.
  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,” <i>Physical
    Review Materials</i>, vol. 4, no. 1, Art. no. 014602, 2020, doi: <a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>.'
  mla: Riedl, Thomas, et al. “Strain-Driven InAs Island Growth on Top of GaAs(111)
    Nanopillars.” <i>Physical Review Materials</i>, vol. 4, no. 1, 014602, American
    Physical Society (APS), 2020, doi:<a href="https://doi.org/10.1103/physrevmaterials.4.014602">10.1103/physrevmaterials.4.014602</a>.
  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. <i>Physical
    Review Materials</i>. 2019. doi:<a href="https://doi.org/10.1103/physrevmaterials.3.104603">10.1103/physrevmaterials.3.104603</a>
  apa: Baron, E., Goldhahn, R., Deppe, M., As, D. J., &#38; Feneberg, M. (2019). Influence
    of the free-electron concentration on the optical properties of zincblende GaN
    up to 1×1020cm−3. <i>Physical Review Materials</i>. <a href="https://doi.org/10.1103/physrevmaterials.3.104603">https://doi.org/10.1103/physrevmaterials.3.104603</a>
  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={<a href="https://doi.org/10.1103/physrevmaterials.3.104603">10.1103/physrevmaterials.3.104603</a>},
    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.” <i>Physical Review Materials</i>, 2019. <a
    href="https://doi.org/10.1103/physrevmaterials.3.104603">https://doi.org/10.1103/physrevmaterials.3.104603</a>.
  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,” <i>Physical Review Materials</i>, 2019.
  mla: Baron, Elias, et al. “Influence of the Free-Electron Concentration on the Optical
    Properties of Zincblende GaN up to 1×1020cm−3.” <i>Physical Review Materials</i>,
    2019, doi:<a href="https://doi.org/10.1103/physrevmaterials.3.104603">10.1103/physrevmaterials.3.104603</a>.
  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. <i>Physical
    Review Materials</i>. 2019. doi:<a href="https://doi.org/10.1103/physrevmaterials.3.104603">10.1103/physrevmaterials.3.104603</a>
  apa: Baron, E., Goldhahn, R., Deppe, M., As, D. J., &#38; Feneberg, M. (2019). Influence
    of the free-electron concentration on the optical properties of zincblende GaN
    up to 1×1020cm−3. <i>Physical Review Materials</i>. <a href="https://doi.org/10.1103/physrevmaterials.3.104603">https://doi.org/10.1103/physrevmaterials.3.104603</a>
  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={<a href="https://doi.org/10.1103/physrevmaterials.3.104603">10.1103/physrevmaterials.3.104603</a>},
    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.” <i>Physical Review Materials</i>, 2019. <a
    href="https://doi.org/10.1103/physrevmaterials.3.104603">https://doi.org/10.1103/physrevmaterials.3.104603</a>.
  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,” <i>Physical Review Materials</i>, 2019.
  mla: Baron, Elias, et al. “Influence of the Free-Electron Concentration on the Optical
    Properties of Zincblende GaN up to 1×1020cm−3.” <i>Physical Review Materials</i>,
    2019, doi:<a href="https://doi.org/10.1103/physrevmaterials.3.104603">10.1103/physrevmaterials.3.104603</a>.
  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: '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. <i>Physical Review Materials</i>. 2018;2(10). doi:<a href="https://doi.org/10.1103/physrevmaterials.2.103801">10.1103/physrevmaterials.2.103801</a>'
  apa: 'Rüsing, M., Neufeld, S., Brockmeier, J., Eigner, C., Mackwitz, P., Spychala,
    K., Silberhorn, C., Schmidt, W. G., Berth, G., Zrenner, A., &#38; Sanna, S. (2018).
    Imaging of 180∘ ferroelectric domain walls in uniaxial ferroelectrics by confocal
    Raman spectroscopy: Unraveling the contrast mechanism. <i>Physical Review Materials</i>,
    <i>2</i>(10). <a href="https://doi.org/10.1103/physrevmaterials.2.103801">https://doi.org/10.1103/physrevmaterials.2.103801</a>'
  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={<a href="https://doi.org/10.1103/physrevmaterials.2.103801">10.1103/physrevmaterials.2.103801</a>},
    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.” <i>Physical Review Materials</i> 2, no. 10 (2018). <a
    href="https://doi.org/10.1103/physrevmaterials.2.103801">https://doi.org/10.1103/physrevmaterials.2.103801</a>.'
  ieee: 'M. Rüsing <i>et al.</i>, “Imaging of 180∘ ferroelectric domain walls in uniaxial
    ferroelectrics by confocal Raman spectroscopy: Unraveling the contrast mechanism,”
    <i>Physical Review Materials</i>, vol. 2, no. 10, 2018, doi: <a href="https://doi.org/10.1103/physrevmaterials.2.103801">10.1103/physrevmaterials.2.103801</a>.'
  mla: 'Rüsing, Michael, et al. “Imaging of 180∘ Ferroelectric Domain Walls in Uniaxial
    Ferroelectrics by Confocal Raman Spectroscopy: Unraveling the Contrast Mechanism.”
    <i>Physical Review Materials</i>, vol. 2, no. 10, American Physical Society (APS),
    2018, doi:<a href="https://doi.org/10.1103/physrevmaterials.2.103801">10.1103/physrevmaterials.2.103801</a>.'
  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: '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. <i>Physical Review Materials</i>.
    2018;2(6). doi:<a href="https://doi.org/10.1103/physrevmaterials.2.066002">10.1103/physrevmaterials.2.066002</a>'
  apa: 'Mamiyev, Z., Lichtenstein, T., Tegenkamp, C., Braun, C., Schmidt, W. G., Sanna,
    S., &#38; Pfnür, H. (2018). Plasmon spectroscopy: Robust metallicity of Au wires
    on Si(557) upon oxidation. <i>Physical Review Materials</i>, <i>2</i>(6). <a href="https://doi.org/10.1103/physrevmaterials.2.066002">https://doi.org/10.1103/physrevmaterials.2.066002</a>'
  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={<a href="https://doi.org/10.1103/physrevmaterials.2.066002">10.1103/physrevmaterials.2.066002</a>},
    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.” <i>Physical Review Materials</i> 2, no. 6
    (2018). <a href="https://doi.org/10.1103/physrevmaterials.2.066002">https://doi.org/10.1103/physrevmaterials.2.066002</a>.'
  ieee: 'Z. Mamiyev <i>et al.</i>, “Plasmon spectroscopy: Robust metallicity of Au
    wires on Si(557) upon oxidation,” <i>Physical Review Materials</i>, vol. 2, no.
    6, 2018, doi: <a href="https://doi.org/10.1103/physrevmaterials.2.066002">10.1103/physrevmaterials.2.066002</a>.'
  mla: 'Mamiyev, Z., et al. “Plasmon Spectroscopy: Robust Metallicity of Au Wires
    on Si(557) upon Oxidation.” <i>Physical Review Materials</i>, vol. 2, no. 6, 2018,
    doi:<a href="https://doi.org/10.1103/physrevmaterials.2.066002">10.1103/physrevmaterials.2.066002</a>.'
  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: '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. <i>Physical Review
    Materials</i>. 2017;1(3). doi:<a href="https://doi.org/10.1103/PhysRevMaterials.1.034401">10.1103/PhysRevMaterials.1.034401</a>
  apa: Friedrich, M., Schmidt, W. G., Schindlmayr, A., &#38; Sanna, S. (2017). Optical
    properties of titanium-doped lithium niobate from time-dependent density-functional
    theory. <i>Physical Review Materials</i>, <i>1</i>(3), Article 034401. <a href="https://doi.org/10.1103/PhysRevMaterials.1.034401">https://doi.org/10.1103/PhysRevMaterials.1.034401</a>
  bibtex: '@article{Friedrich_Schmidt_Schindlmayr_Sanna_2017, title={Optical properties
    of titanium-doped lithium niobate from time-dependent density-functional theory},
    volume={1}, DOI={<a href="https://doi.org/10.1103/PhysRevMaterials.1.034401">10.1103/PhysRevMaterials.1.034401</a>},
    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.” <i>Physical Review Materials</i> 1, no. 3 (2017). <a href="https://doi.org/10.1103/PhysRevMaterials.1.034401">https://doi.org/10.1103/PhysRevMaterials.1.034401</a>.
  ieee: 'M. Friedrich, W. G. Schmidt, A. Schindlmayr, and S. Sanna, “Optical properties
    of titanium-doped lithium niobate from time-dependent density-functional theory,”
    <i>Physical Review Materials</i>, vol. 1, no. 3, Art. no. 034401, 2017, doi: <a
    href="https://doi.org/10.1103/PhysRevMaterials.1.034401">10.1103/PhysRevMaterials.1.034401</a>.'
  mla: Friedrich, Michael, et al. “Optical Properties of Titanium-Doped Lithium Niobate
    from Time-Dependent Density-Functional Theory.” <i>Physical Review Materials</i>,
    vol. 1, no. 3, 034401, American Physical Society, 2017, doi:<a href="https://doi.org/10.1103/PhysRevMaterials.1.034401">10.1103/PhysRevMaterials.1.034401</a>.
  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: '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. <i>Physical Review Materials</i>.
    2017;1(5). doi:<a href="https://doi.org/10.1103/physrevmaterials.1.055002">10.1103/physrevmaterials.1.055002</a>'
  apa: 'Braun, C., Hogan, C., Chandola, S., Esser, N., Sanna, S., &#38; Schmidt, W.
    G. (2017). Si(775)-Au atomic chains: Geometry, optical properties, and spin order.
    <i>Physical Review Materials</i>, <i>1</i>(5). <a href="https://doi.org/10.1103/physrevmaterials.1.055002">https://doi.org/10.1103/physrevmaterials.1.055002</a>'
  bibtex: '@article{Braun_Hogan_Chandola_Esser_Sanna_Schmidt_2017, title={Si(775)-Au
    atomic chains: Geometry, optical properties, and spin order}, volume={1}, DOI={<a
    href="https://doi.org/10.1103/physrevmaterials.1.055002">10.1103/physrevmaterials.1.055002</a>},
    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.” <i>Physical Review Materials</i> 1, no. 5 (2017). <a href="https://doi.org/10.1103/physrevmaterials.1.055002">https://doi.org/10.1103/physrevmaterials.1.055002</a>.'
  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,” <i>Physical Review
    Materials</i>, vol. 1, no. 5, 2017, doi: <a href="https://doi.org/10.1103/physrevmaterials.1.055002">10.1103/physrevmaterials.1.055002</a>.'
  mla: 'Braun, Christian, et al. “Si(775)-Au Atomic Chains: Geometry, Optical Properties,
    and Spin Order.” <i>Physical Review Materials</i>, vol. 1, no. 5, 2017, doi:<a
    href="https://doi.org/10.1103/physrevmaterials.1.055002">10.1103/physrevmaterials.1.055002</a>.'
  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: 2025-12-05T10:14:46Z
department:
- _id: '15'
- _id: '170'
- _id: '295'
- _id: '35'
- _id: '230'
- _id: '27'
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'
...