| In order to achieve controlled variability for the continuous scaling trend of transistors, it is crucial to obtain an atomistic-level understanding of the diffusion behavior of impurity atoms and point defects in the device fabrication thermal processes. The kinetic lattice Monte Carlo (KLMC) approach, treating diffusion at the atomistic level while overcoming the time-scale problem, can fundamentally yet efficiently simulate atomistic diffusion processes at macroscopic system sizes and practical time scales. We have developed a kinetic lattice Monte Carlo simulator (LAMOCA) which features the augmented lattice domain (i.e. including high-symmetry interstitial sites) that allows simulations of interstitial-mediated diffusion, and the inclusion of the stress effect on the diffusion migration barriers that facilitates simulations of stress-dependent diffusion in strained silicon germanium alloys. In this talk I will present the findings of our KLMC studies on the self-/inter-/impurity diffusion in silicon and silicon germanium alloys. Our simulation results not only match existing experimental data, but also provide powerful insights into the optimization of nanoscale device fabrication processes. |
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