Data for "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions"

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"

Subjects:
Materials sciences
Tools, technologies and methods

Cite this dataset as:
Skelton, J., 2016. Data for "Anharmonicity in the High-Temperature Cmcm Phase of SnSe: Soft Modes and Three-Phonon Interactions". University of Bath. https://doi.org/10.15125/BATH-00258.

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Data

Sample-Input.tar.gz
application/x-gzip (3kB)
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.

Link to the published article (open access - includes supplementary material).

Related code

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

Documentation Files

README.rtf
text/rtf (76kB)

Funders

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly
EP/K016288/1

Engineering and Physical Sciences Research Council (EPSRC)
https://doi.org/10.13039/501100000266

Materials Chemistry High End Computing Consortium
EP/L000202/1

Partnership for Advanced Computing in Europe AISBL (PRACE)
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 articles

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-TemperatureCmcmPhase of SnSe: Soft Modes and Three-Phonon Interactions. Physical Review Letters, 117(7). Available from: https://doi.org/10.1103/PhysRevLett.117.075502.

Related datasets and code

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-TemperatureCmcmPhase 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

Departments:

Faculty of Science
Chemistry