Investigation of structural, elastic, and lattice-dynamical properties of Ca2Si, Ca2Ge, and Ca2Sn based on first-principles density functional theory

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Title
Investigation of structural, elastic, and lattice-dynamical properties of Ca2Si, Ca2Ge, and Ca2Sn based on first-principles density functional theory
Authors
Keywords
Ca, 2, X, Elastic properties, Phonons, Thermodynamic properties, Born effective charge
Journal
COMPUTATIONAL MATERIALS SCIENCE
Volume 97, Issue -, Pages 36-41
Publisher
Elsevier BV
Online
2014-10-29
DOI
10.1016/j.commatsci.2014.10.002

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