Authors: K-S Yoon and T. Won
Affilation: Inha University, Korea
Pages: 13 - 16
Keywords: indium, ab-initio, minimum energy path, migration energy
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.