First-principles study of structural, electronic, and optical properties of surface defects in GaAs(001) - β2(2x4)
We performed first-principles calculations based on density functional theory (DFT) to investigate the role of point defects in the structural, electronic, and optical properties of the GaAs(001)- β2(2x4). In terms of structural properties, AsGa is the most stable defect structure, consistent with e...
| Main Authors: | , , , |
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| Format: | Article |
| Language: | English |
| Published: |
AIP Publishing LLC
2018-06-01
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| Series: | AIP Advances |
| Online Access: | http://dx.doi.org/10.1063/1.5020188 |