Structural, electronic, elastic, power, and transport properties of β-Ga_{2}O_{3} from first principles
We investigate the structural, electronic, vibrational, power, and transport properties of the β allotrope of Ga_{2}O_{3} from first principles. We find phonon frequencies and elastic constants that reproduce the correct band ordering, in agreement with experiment. We use the Boltzmann transport equ...
| Main Authors: | , |
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| Format: | Article |
| Language: | English |
| Published: |
American Physical Society
2020-07-01
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| Series: | Physical Review Research |
| Online Access: | http://doi.org/10.1103/PhysRevResearch.2.033102 |