First-principle Study for Neutral Indium Migration in Silicon

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We could figure out the atomistic configurations and migration energy during indium diffusion in silicon through our ab-initio calculations, which consists of searching for saddle points from a minimum and reaction pathway between the two stable states by using TST. After finding the transition state, the energy barrier for the diffusing particle was obtained through calculating the exact total energy at the transition state.

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Journal: TechConnect Briefs
Volume: 1, Technical Proceedings of the 2006 NSTI Nanotechnology Conference and Trade Show, Volume 1
Published: May 7, 2006
Pages: 13 - 16
Industry sector: Advanced Materials & Manufacturing
Topic: Nanoelectronics
ISBN: 0-9767985-6-5