Defect Abundances and Diffusion Mechanisms in Diamond, SiC, Si and Ge
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.
KeywordsFormation Energy Film Diamond Native Defect Direct Exchange Substitutional Defect
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- 3.Y. Bar-Yam and J. Joannopoulos, Proc. 13th Intern. Cont. on Defects in Semi conductors, edited by L. C. Kimerling and J. M. Parsey Jr., in: “The Metallurgical Society of AIME”, New York, p. 261 (1985).Google Scholar
- 5.See, for example, the Presentation Summaries of the Diamond Technology Initiative Symposium, 12–14 July 1988.Google Scholar
- 7.Y. Bar-Yam, J. Joannopoulos, and S. T. Pantelides, to be published.Google Scholar
- 8.J. Bernholc, A. Antonelli, T. Del Sole, Y. Bar-Yam, and S. Pantelides, to be published.Google Scholar
- 9.C. Wang, J. Bernholc, and R. F. Davis, to be published.Google Scholar
- 10.A. Antonelli and J. Bernholc, to be published.Google Scholar
- 11.H. J. Kim and R. F. Davis, J. Electrochem. Soc.: Solid State Sci. and Techn. 133:2250 (1986).Google Scholar
- 13.D. P. Birnie, III, J. Am. Ceram. Soc. 60:C–33 (1986).Google Scholar
- 15.D. Lazarus and N. H. Nachtrieb, in: “Solids under Pressure”, D. Paul and D. M. Warschauer, ed., McGraw-Hill, New York (1963).Google Scholar
- 16.S. M. Hu, in: “Atomic Diffusion in Semiconductors”, D. Shaw, ed, Plenum, New York (1973).Google Scholar