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Bond-length distribution in tetrahedral versus octahedral semiconductor alloys: The case ofGa1−xInxN
1997
Physical Review B (Condensed Matter)
Large (Ϸ1000 atoms) supercell valence force-field simulations are used to investigate the nearest-neighbor bond-length distribution in relaxed tetrahedral ͑zinc blende and wurtzite͒ and octahedral ͑rocksalt͒ Ga 1Ϫx In x N alloys. We find that, due to the rigidity of the octahedron, the distribution of each anion-cation bond length in rocksalt alloys has two contributions: unrelaxed bonds and relaxed bonds. These two peaks have a large width and overlap slightly, leading to a broad
doi:10.1103/physrevb.56.13872
fatcat:4qieiyxybbcgjkzcutypipuymy