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

• Published in: Condensed Matter Physics
• Date: 2016
• Main Authors: Bensalem, S., Chegaar, M., Bouhemadou, A.
• Format: Article
• Language: English
• Published: Інститут фізики конденсованих систем НАН України 2016
• Online Access: https://nasplib.isofts.kiev.ua/handle/123456789/156538
• Journal Title: Digital Library of Periodicals of National Academy of Sciences of Ukraine
• Cite this: Computational insight on the structural, mechanical and thermal properties of Cu₂CdSnSe₄ and Cu₂HgSnSe₄ adamantine materials / S. Bensalem, M. Chegaar, A. Bouhemadou // Condensed Matter Physics. — 2016. — Т. 19, № 4. — С. 43601: 1–10. — Бібліогр.: 41 назв. — англ.

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