Abstract
Many of the important properties of semiconductors are affected by the presence of native defects. These include diffusion of native atoms and impurities, electronic properties, structural rearrangements during growth or processing, etc. We have used local density theory and non-local pseudopotentials to study trends in the relative abundance of native defects and in self-diffusion (diffusion of native tracer atoms) in diamond, SiC, Si and Ge. Both point-defect-mediated diffusion and direct exchange of lattice atoms were considered. All calculations were carried out using the same methodology and similar convergence criteria.
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© 1989 Plenum Press, New York
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Bernholc, J., Antonelli, A., Wang, C., Davis, R.F., Pantelides, S.T. (1989). Defect Abundances and Diffusion Mechanisms in Diamond, SiC, Si and Ge. In: Vitek, V., Srolovitz, D.J. (eds) Atomistic Simulation of Materials. Springer, Boston, MA. https://doi.org/10.1007/978-1-4684-5703-2_4
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DOI: https://doi.org/10.1007/978-1-4684-5703-2_4
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