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Indium in silicon: interactions with native defects and with C impurities
Published online by Cambridge University Press: 17 March 2011
Abstract
Equilibrium geometries and formation energies of neutral and charged In complexes with silicon native defects (vacancy (V) and self-interstitials (I)) and with C impurities are investigated within density functional theory, using the Vienna Ab-initio Simulation Package. We determine formation energies and ionization levels of different complexes and discuss the contribution of I and V to indium diffusion. We also identify the In-C defect responsible for the increased electrical activation in In+C-doped silicon samples. The ab initio energetics is then implemented in a continuum diffusion code in order to simulate the diffusion of as-implanted In profiles under different thermal treatments.
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- Copyright © Materials Research Society 2004