Data for "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions"
Raw data to accompany the article "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions"
Cite this dataset as:
Skelton, J.,
2016.
Data for "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00258.
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Data
Sample-Input.tar.gz
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Creative Commons: Attribution 4.0
See README.rtf file for a description of the contents of this archive.
SnSe-Cmcm.tar.gz
application/x-gzip (1GB)
Creative Commons: Attribution 4.0
See README.rtf file for a description of the contents of this archive.
SnSe-Pnma.tar.gz
application/x-gzip (843MB)
Creative Commons: Attribution 4.0
See README.rtf file for a description of the contents of this archive.
Creators
Jonathan Skelton
University of Bath
Contributors
Lee Burton
Researcher
University of Bath
Steve Parker
Supervisor
University of Bath
Aron Walsh
Project Leader
University of Bath
Chang-eun Kim
Researcher
Yonsei University
Aloysius Soon
Supervisor
Yonsei University
John Buckeridge
Researcher
University College London
Alexey A. Sokol
Researcher
University College London
C. Richard A. Catlow
Supervisor
University College London
Atsushi Togo
Researcher
Kyoto University
Isao Tanaka
Supervisor
Kyoto University
University of Bath
Rights Holder
Documentation
Methodology link:
Skelton, J. M., Burton, L. A., Parker, S. C., Walsh, A., Kim, C.-E., Soon, A., Buckeridge, J., Sokol, A. A., Catlow, C. R. A., Togo, A., and Tanaka, I., 2016. Anharmonicity in the High-Temperature<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>C</mml:mi><mml:mi>m</mml:mi><mml:mi>c</mml:mi><mml:mi>m</mml:mi></mml:math>Phase of SnSe: Soft Modes and Three-Phonon Interactions. Physical Review Letters, 117(7). Available from: https://doi.org/10.1103/physrevlett.117.075502.
Documentation Files
README.rtf
text/rtf (76kB)
Funders
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials
EP/K004956/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Energy Materials: Computational Solutions
EP/K016288/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Materials Chemistry High End Computing Consortium
EP/L000202/1
Partnership for Advanced Computing in Europe
https://doi.org/10.13039/501100001943
IsoSwitch
13DECI0317/IsoSwitch
Publication details
Publication date: 10 August 2016
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-00258
URL for this record: https://researchdata.bath.ac.uk/id/eprint/258
Related papers and books
Skelton, J. M., Burton, L. A., Parker, S. C., Walsh, A., Kim, C.-E., Soon, A., Buckeridge, J., Sokol, A. A., Catlow, C. R. A., Togo, A., and Tanaka, I., 2016. Anharmonicity in the High-Temperature<mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" display="inline"><mml:mi>C</mml:mi><mml:mi>m</mml:mi><mml:mi>c</mml:mi><mml:mi>m</mml:mi></mml:math>Phase of SnSe: Soft Modes and Three-Phonon Interactions. Physical Review Letters, 117(7). Available from: https://doi.org/10.1103/physrevlett.117.075502.
Contact information
Please contact the Research Data Service in the first instance for all matters concerning this item.
Contact person: Jonathan Skelton
Faculty of Science
Chemistry
