Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor"

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POSCAR.vasp

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DielectricFunction.csv

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DielectricFunction_Properties.csv

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DielectricFunction_PropertyAverages.csv

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Phonopy.tar.gz

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README.rtf

documentation archive 4450 disk0/00/00/03/38 2017-03-21 17:03:31 2024-08-10 04:48:33 2017-03-21 17:03:31 data_collection show Skelton Jonathan J.M.Skelton@bath.ac.uk 0000-0002-0395-1202 University of Bath TRUE DataCollector Burton Lee L.A.Burton@bath.ac.uk 0000-0002-0647-5483 University of Bath ProjectMember Oba Fumiyasu 0000-0001-7178-5333 ProjectLeader Walsh Aron a.walsh@bath.ac.uk 0000-0001-5460-7033 University of Bath Data for "Metastable cubic tin sulfide: a novel phonon-stable chiral semiconductor" ED0100 GE0030 KS0080 dept_chem 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. 2017 University of Bath public RightsHolder University of Bath Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/K004956/1 Applying Long-Lived Metastable States in Switchable Functionality via Kinetic Control of Molecular Assembly - a Programme in Functional Materials Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/J017361/1 SuperSolar Solar Energy Hub Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/K016288/1 Energy Materials: Computational Solutions Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/L017792/1 Photovoltaic Technology based on Earth Abundant Materials - PVTEAM Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/M009580/1 Multi-Scale Modelling of Hybrid Perovskites for Solar Cells Engineering and Physical Sciences Research Council https://doi.org/10.13039/501100000266 EP/G03768X/1 Doctoral Training Centre in Sustainable Chemical Technologies Seventh Framework Programme https://doi.org/10.13039/501100004963 277757 Hybrid Semiconductors: Design Principles and Material Applications Partnership for Advanced Computing in Europe https://doi.org/10.13039/501100001943 13DECI0317/IsoSwitch IsoSwitch Japan Society for the Promotion of Science https://doi.org/10.13039/501100001691 26.04792 https://doi.org/10.1063/1.4977868 en 1 10.15125/BATH-00338 https://doi.org/10.1063/1.4977868 pub