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...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
Institute for Condensed Matter Physics
2016-12-01
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| Series: | Condensed Matter Physics |
| Subjects: | |
| Online Access: | http://dx.doi.org/10.5488/CMP.19.43601 |