Atomistic Simulation of the Lattice Properties of SnSe View Full Text


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Article Info

DATE

2022-03

AUTHORS

A. N. Filanovich, Y. V. Lysogorskiy, A. A. Povzner

ABSTRACT

A set of ab initio calculations of the energy of the ground state as a function of volume, elastic properties, and phonon spectra of tin selenide in its different crystal modifications has been performed. Based on the data set we obtained, the SnSe interatomic interaction potential has been built by implementing the atomic cluster expansion method. The potential has been used to study the temperature dependences of the thermal and elastic characteristics of SnSe in the quasi-harmonic approximation. More... »

PAGES

169-174

Identifiers

URI

http://scigraph.springernature.com/pub.10.1134/s1063782622020051

DOI

http://dx.doi.org/10.1134/s1063782622020051

DIMENSIONS

https://app.dimensions.ai/details/publication/pub.1147967971


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