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Doping Issues in Wide Band-Gap SemiconductorsExeter, United Kingdom21-23 March 2001 |
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Ab initio techniques in the local density approximation are applied to study hydrogen in cubic, 2h, 4h and 6h silicon carbide polytypes. The lowest energy configurations for various charge states of a single interstitial hydrogen atom are found. The positions of the electronic gap levels are investigated, and diffusion energies are estimated in particular cases.