First-Principles Study of Boron Diffusion in Silicon
- 22 November 1999
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 83 (21), 4345-4348
- https://doi.org/10.1103/physrevlett.83.4345
Abstract
In this Letter we investigate boron diffusion as a function of the Fermi-level position in crystalline silicon using ab initio calculations. Based on our results, a new mechanism for B diffusion mediated by Si self-interstitials is proposed. Rather than kick out of B into a mobile channel, we find a direct diffusion mechanism for the boron-interstitial pair for all Fermi-level positions. Our activation energy of eV, migration barrier of eV, and diffusion-length exponent of to eV are in excellent agreement with experiment.
Keywords
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