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Doping Issues in Wide Band-Gap Semiconductors

Exeter, United Kingdom
21-23 March 2001
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Poster abstract

Hydrogen interstitials in silicon carbide polytypes

M. Kaukonen

School Physics, The University of Exeter, Exeter EX4 4QL, UK

C. J. Fall (a), P. R. Briddon (b), and R. Jones (a)

(a) School of Physics, The University of Exeter, Stocker Road, Exeter EX4 4QL, UK, (b) Department of Physics, The University of, Newcastle upon Tyne, Newcastle upon Tyne NE1 7RU, UK

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.