Inversion Domain and Stacking Mismatch Boundaries in GaN
- 1 July 1996
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 77 (1) , 103-106
- https://doi.org/10.1103/physrevlett.77.103
Abstract
We present first-principles calculations of domain wall energies for inversion domain boundaries and stacking mismatch boundaries in GaN. We find a low-energy inversion domain boundary in which each atom remains fourfold coordinated without the formation of Ga-Ga or N-N bonds. This boundary, denoted IDB*, does not induce electronic states in the band gap and would therefore not adversely impact photoluminescence efficiency. The stacking mismatch boundary has a higher formation energy than IDB*, and gives rise to occupied N-derived interface states in the band gap.Keywords
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