First-principles calculations to investigate pressure effect on mechanical and thermal properties of ZrAl2

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First-principles calculations to investigate pressure effect on mechanical and thermal properties of ZrAl2. / Tang, M.; Rong, Z. C.; Li, F. X.; Yi, J. H.; Eckert, J.; Liu, Y. C.

In: Computational & theoretical chemistry, Vol. 1202, 113304, 08.2021.

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@article{20827ba045fe4870966998095c6f8700,
title = "First-principles calculations to investigate pressure effect on mechanical and thermal properties of ZrAl2",
keywords = "Elastic properties, First-principles, Pressure, Thermal properties, ZrAl structure",
author = "M. Tang and Rong, {Z. C.} and Li, {F. X.} and Yi, {J. H.} and J. Eckert and Liu, {Y. C.}",
note = "Publisher Copyright: {\textcopyright} 2021 Elsevier B.V.",
year = "2021",
month = aug,
doi = "10.1016/j.comptc.2021.113304",
language = "English",
volume = "1202",
journal = "Computational & theoretical chemistry",
issn = "2210-271X",

}

RIS (suitable for import to EndNote) - Download

TY - JOUR

T1 - First-principles calculations to investigate pressure effect on mechanical and thermal properties of ZrAl2

AU - Tang, M.

AU - Rong, Z. C.

AU - Li, F. X.

AU - Yi, J. H.

AU - Eckert, J.

AU - Liu, Y. C.

N1 - Publisher Copyright: © 2021 Elsevier B.V.

PY - 2021/8

Y1 - 2021/8

KW - Elastic properties

KW - First-principles

KW - Pressure

KW - Thermal properties

KW - ZrAl structure

UR - http://www.scopus.com/inward/record.url?scp=85108718123&partnerID=8YFLogxK

U2 - 10.1016/j.comptc.2021.113304

DO - 10.1016/j.comptc.2021.113304

M3 - Article

AN - SCOPUS:85108718123

VL - 1202

JO - Computational & theoretical chemistry

JF - Computational & theoretical chemistry

SN - 2210-271X

M1 - 113304

ER -