Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor"
Raw data to accompany the article "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor".
This dataset contains the optimised crystal structure of pi-cubic SnS, data from the lattice-dynamics calculations including the calculated force constants and phonon spectra, data from the electronic-structure calculations, and the simulated frequency-dependent dielectric function and derived properties.
Cite this dataset as:
Skelton, J.,
2017.
Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor".
Bath: University of Bath Research Data Archive.
Available from: https://doi.org/10.15125/BATH-00338.
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Data
POSCAR.vasp
text/plain (7kB)
Creative Commons: Attribution 4.0
ElectronicDOS.csv
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Wannier90.tar.gz
application/x-gzip (266MB)
Creative Commons: Attribution 4.0
DielectricFunction.csv
text/plain (1MB)
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DielectricFunction_Properties.csv
text/plain (2MB)
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DielectricFunction … Averages.csv
text/plain (1MB)
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Phonopy.tar.gz
application/x-gzip (968kB)
Creative Commons: Attribution 4.0
Creators
Jonathan Skelton
University of Bath
Contributors
Lee Burton
Data Collector
University of Bath
Fumiyasu Oba
Project Member
Aron Walsh
Project Leader
University of Bath
University of Bath
Rights Holder
Documentation
Methodology link:
Skelton, J. M., Burton, L. A., Oba, F., and Walsh, A., 2017. Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor. APL Materials, 5(3), 036101. Available from: https://doi.org/10.1063/1.4977868.
Documentation Files
README.rtf
text/rtf (278kB)
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
SuperSolar Solar Energy Hub
EP/J017361/1
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
Photovoltaic Technology based on Earth Abundant Materials - PVTEAM
EP/L017792/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Multi-Scale Modelling of Hybrid Perovskites for Solar Cells
EP/M009580/1
Engineering and Physical Sciences Research Council
https://doi.org/10.13039/501100000266
Doctoral Training Centre in Sustainable Chemical Technologies
EP/G03768X/1
Seventh Framework Programme
https://doi.org/10.13039/501100004963
Hybrid Semiconductors: Design Principles and Material Applications
277757
Partnership for Advanced Computing in Europe
https://doi.org/10.13039/501100001943
IsoSwitch
13DECI0317/IsoSwitch
Japan Society for the Promotion of Science
https://doi.org/10.13039/501100001691
Grant
26.04792
Publication details
Publication date: 2017
by: University of Bath
Version: 1
DOI: https://doi.org/10.15125/BATH-00338
URL for this record: https://researchdata.bath.ac.uk/id/eprint/338
Related papers and books
Skelton, J. M., Burton, L. A., Oba, F., and Walsh, A., 2017. Metastable cubic tin sulfide: A novel phonon-stable chiral semiconductor. APL Materials, 5(3), 036101. Available from: https://doi.org/10.1063/1.4977868.
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
