Kinetic lattice Monte Carlo simulations of interdiffusion in strained silicon germanium alloys
نویسندگان
چکیده
Point-defect-mediated diffusion processes are investigated in strained SiGe alloys using kinetic lattice Monte Carlo KLMC simulation technique. The KLMC simulator incorporates an augmented lattice domain and includes defect structures, atomistic hopping mechanisms, and the stress dependence of transition rates obtained from density functional theory calculation results. Vacancy-mediated interdiffusion in strained SiGe alloys is analyzed, and the stress effect caused by the induced strain of germanium is quantified separately from that due to germanium-vacancy binding. The results indicate that both effects have substantial impact on interdiffusion. © 2010 American Vacuum Society. DOI: 10.1116/1.3294704
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