DFT investigation of electronic and elastic properties of α -CdP2
The energy bands, density of states, charge density, Mulliken population, equation of state and elastic properties of α -CdP _2 have been studied. Exchange correlation functional PBEsol is utilized in this study. The optimized equilibrium lattice parameters of the conventional cell have been obtaine...
| Main Authors: | , , |
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| Format: | Article |
| Language: | English |
| Published: |
IOP Publishing
2020-01-01
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| Series: | Materials Research Express |
| Subjects: | |
| Online Access: | https://doi.org/10.1088/2053-1591/abb0ad |