2007 NSTI Nanotechnology Conference and Trade Show - Nanotech 2007 - 10th Annual

First-Principles Study on Indium Diffusion in Silicon Substrate under Hydrostatic Strain

K-S Yoon, Y-K Kim and T. Won
Inha University, KR

first-principles, indium, diffusion, silicon, strain

In this paper, we studied the effect of strain on indium diffusion. In order to investigate the stress effect, it is essential to find out the migration path of indium. Ab-initio study in this work enabled us to quantum-mechanically perform electronic structure relaxation and get its total energy. We could figure out the atomistic configurations and migration energy during indium diffusion in strained silicon on SiGe substrate with 20% Ge. After finding the MEP, the energy barrier for the diffusing particle was obtained through calculating the exact total energy at the minimum and transition state. These parameter extraction results are essential in obtaining an exact modeling of the experimental profiles.

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