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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...

Whakaahuatanga katoa

I tiakina i:
Ngā taipitopito rārangi puna kōrero
Ngā kaituhi matua: S. Bensalem, M. Chegaar, A. Bouhemadou
Hōputu: Artigo
Reo:Inglês
I whakaputaina: Yukhnovskii Institute for Condensed Matter Physics of the National Academy of Sciences of Ukraine 2016-12-01
Rangatū:Condensed Matter Physics
Ngā marau:
Urunga tuihono:http://dx.doi.org/10.5488/CMP.19.43601
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