Electronic band structure and optical parameters of spinel SnMg 2O 4 by modified Becke - Johnson potential
The electronic band structure and optical parameters of SnMg 2O 4 are investigated by the first-principles technique based on a new potential approximation known as modified Becke - Johnson (mBJ). The direct band gap values by LDA, GGA and EV-GGA are underestimated significantly as compared to mBJ-G...
| Main Authors: | , , , , |
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| Format: | Article |
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Chinese Physical Society and IOP Publishing
2012
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| Subjects: |