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• W1981345786 abstract "We have investigated the lattice parameters, bond lengths, and band-gap energies of ordered and random alloys of wurtzite-phase AlN and GaN, using density-functional local-orbital theory based on the local-density approximation and the pseudopotential method. The lattice constants a and c are found to change nearly linearly with x for all structures. However, the Ga-N and Al-N bond lengths exhibit significantly smaller variations, which is in agreement with the data from recent x-ray absorption fine-structure measurements. The alloys are direct-gap semiconductors for all Al fractions x. The alloy structures investigated exhibit a small downward bowing of the band-gap energy. The bowing is substantially reduced by optimizing the lattice parameters. For ordered alloys, the band-gap energies are found to show a nearly linear variation with the Al fraction." @default.
• W1981345786 created "2016-06-24" @default.
• W1981345786 creator A5008373344 @default.
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• W1981345786 date "1999-01-01" @default.
• W1981345786 modified "2023-10-14" @default.
• W1981345786 title "First-principles local-orbital calculation of the structural and electronic properties of ordered and random alloys of GaN and AlN" @default.
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• W1981345786 doi "https://doi.org/10.1088/0953-8984/11/11/007" @default.
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