Vacancy clustering and diffusion in silicon: Kinetic lattice Monte Carlo simulations

Details Vacancy clustering and diffusion in silicon: Kinetic lattice Monte Carlo simulations Vacancy clustering and diffusion in silicon: Kinetic lattice Monte Carlo simulations

2006-06-29

arxiv.org/abs/cond-mat/0606781v1

Physical Review B 74, 045217 (2006)

Physics

Condensed Matter

Materials Science

14 pages, 12 figures. To appear in Physical Review B

Scientific paper

10.1103/PhysRevB.74.045217

Diffusion and clustering of lattice vacancies in silicon as a function of temperature, concentration, and interaction range are investigated by Kinetic Lattice Monte Carlo simulations. It is found that higher temperatures lead to larger clusters with shorter lifetimes on average, which grow by attracting free vacancies, while clusters at lower temperatures grow by aggregation of smaller clusters. Long interaction ranges produce enhanced diffusivity and fewer clusters. Greater vacancy concentrations lead to more clusters, with fewer free vacancies, but the size of the clusters is largely independent of concentration. Vacancy diffusivity is shown to obey power law behavior over time, and the exponent of this law is shown to increase with concentration, at fixed temperature, and decrease with temperature, at fixed concentration.

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