Computational insight on the structural, mechanical and thermal properties of Cu2CdSnSe4 and Cu2HgSnSe4 adamantine materials

Through first-principles calculation based on the density functional theory (DFT) within the pseudo potential-plane wave (PP-PW) approach, we studied the structural, mechanical and thermal properties of Cu2CdSnSe4 and Cu2HgSnSe4 adamantine materials. The calculated lattice parameters are in good agr...

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Autors principals:	S. Bensalem, M. Chegaar, A. Bouhemadou
Format:	Artigo
Idioma:	Inglês
Publicat:	Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2016-12-01
Col·lecció:	Condensed Matter Physics
Matèries:	first-principles structural parameters mechanical characteristics thermal properties Cu2CdSnSe4 Cu2HgSnSe4
Accés en línia:	http://dx.doi.org/10.5488/CMP.19.43601
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