First-principles calculation on the structure stability, elastic properties and electronic structure of P-doped Mg2Si
In this study, the effect on the structure stability, elastic properties and electronic structure of P-doped Mg _2 Si were studied by the first-principles pseudopotential plane wave method based on density functional theory. The lattice constants, formation enthalpy, cohesive energy, elastic constan...
| 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/ab7e4a |