Lattice dynamics of the tin sulphides SnS(2), SnS and Sn(2)S(3): vibrational spectra and thermal transport

We present an in-depth first-principles study of the lattice dynamics of the tin sulphides SnS(2), Pnma and π-cubic SnS and Sn(2)S(3). An analysis of the harmonic phonon dispersion and vibrational density of states reveals phonon bandgaps between low- and high-frequency modes consisting of Sn and S...

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Udgivet i:Phys Chem Chem Phys
Main Authors: Skelton, Jonathan M., Burton, Lee A., Jackson, Adam J., Oba, Fumiyasu, Parker, Stephen C., Walsh, Aron
Format: Artigo
Sprog:Inglês
Udgivet: Royal Society of Chemistry 2017
Fag:
Chemistry
Online adgang:https://ncbi.nlm.nih.gov/pmc/articles/PMC5450010/
https://ncbi.nlm.nih.gov/pubmed/28470289
https://ncbi.nlm.nih.govhttp://dx.doi.org/10.1039/c7cp01680h
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