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Fizika i Tekhnika Poluprovodnikov, 2021, Volume 55, Issue 12, Pages 1149–1155
DOI: https://doi.org/10.21883/FTP.2021.12.51698.13 (Mi phts4909) 		 
This article is cited in 1 scientific paper (total in 1 paper)

XVII Interstate Conference ''Thermoelectrics and Their Applications -- 2021" (ISCTA 2021 St. Petersburg, September 13-16, 2021)

Atomistic simulation of the lattice properties of SnSe

A. N. Filanovicha, Yu. V. Lysogorskiyb, A. A. Povznera

a Ural Federal University named after the First President of Russia B. N. Yeltsin, Ekaterinburg
b ICAMS, Ruhr-Universitat Bochum, 44801 Bochum, Germany
Full-text PDF (686 kB) Citations (1)
DOI: https://doi.org/10.21883/FTP.2021.12.51698.13
Abstract: We have performed a set of ab initio calculations of the ground state energy as a function of volume, elastic properties, and phonon spectra of tin selenide in its various crystalline modifications. Based on the obtained data set, the potential of interatomic interaction of SnSe is constructed using the atomic cluster expansion (ACE) method. The potential is further used to study the temperature dependences of thermal and elastic properties of SnSe in the framework of quasi-harmonic approximation.
Keywords: thermoelectrics, lattice anharmonicity, thermal properties, elastic properties, tin selenide, atomistic modeling, interatomic interaction potential.
Funding agency Grant number
Ministry of Science and Higher Education of the Russian Federation 2291-21
FEUZ-2020-0020
German Academic Exchange Service (DAAD) 57515328
Received: 12.08.2021
Revised: 28.08.2021
Accepted: 28.08.2021
Bibliographic databases:
Document Type: Article
Language: Russian
Citation: A. N. Filanovich, Yu. V. Lysogorskiy, A. A. Povzner, “Atomistic simulation of the lattice properties of SnSe”, Fizika i Tekhnika Poluprovodnikov, 55:12 (2021), 1149–1155
Citation in format AMSBIB
\Bibitem{FilLysPov21}
\by A.~N.~Filanovich, Yu.~V.~Lysogorskiy, A.~A.~Povzner
\paper Atomistic simulation of the lattice properties of SnSe
\jour Fizika i Tekhnika Poluprovodnikov
\yr 2021
\vol 55
\issue 12
\pages 1149--1155
\mathnet{http://mi.mathnet.ru/phts4909}
\crossref{https://doi.org/10.21883/FTP.2021.12.51698.13}
\elib{https://elibrary.ru/item.asp?id=46667383}
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  • https://www.mathnet.ru/eng/phts/v55/i12/p1149
    • This publication is cited in the following 1 articles:
    Citing articles in Google Scholar: Russian citations, English citations
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    		Fizika i Tekhnika Poluprovodnikov Fizika i Tekhnika Poluprovodnikov
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