Natural band alignment of MgO1−xSx alloys
We have calculated formation enthalpies, bandgaps, and natural band alignment for MgO1−xSx alloys by first-principles calculation based on density functional theory. The calculated formation enthalpies show that the MgO1−xSx alloys exhibit a large miscibility gap, and a metastable region was found t...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2023-05-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/5.0141199 |