Abstract
Electronic structure of substitutional group-IV impurities C, Si, and Ge in hexagonal GaN and AlN were studied by quantum molecular dynamics. Cis is a very shallow acceptor, and thus a promising p-type dopant. Both Si and Ge are excellent donors in GaN. However, in AlGaN alJoys the DX configurations are stable for a sufficiently high Al content, which quenches the doping efficiency. Electronic structure of nearest-neighbor Χcatiοn—ΧΝ pairs is also discussed. PACS numbers: 71.55.—i
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