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[摘要]：Using hybrid functional calculations we investigate the effects of carbon on the electrical and optical properties of GaN. In contrast to the currently accepted view that C substituting for N (C-N) is a shallow acceptor, we find that C-N has an ionization energy of 0.90 eV. Our calculated absorption and emission lines also indicate that C-N is a likely source for the yellow luminescence that is frequently observed in GaN, solving the longstanding puzzle of the nature of the C-related defect involved in yellow emission. Our results suggest that previous experimental data, analyzed under the assumption that C-N acts as a shallow acceptor, should be re-examined. (c) 2010 American Institute of Physics. [doi:10.1063/1.3492841] |
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