We present a theoretical investigation on point-defect formation, migration, and clustering in silicon by tight-binding molecular dynamics. We also provide, by means of first-principles hartree-fock calculations, a detailed chemical characterization of the Si-Si bond at the split <110> self-interstitial defect.
Structure, energetics, clustering and migration of point-defects in silicon
F Cargnoni
1996
Abstract
We present a theoretical investigation on point-defect formation, migration, and clustering in silicon by tight-binding molecular dynamics. We also provide, by means of first-principles hartree-fock calculations, a detailed chemical characterization of the Si-Si bond at the split <110> self-interstitial defect.File in questo prodotto:
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Descrizione: Structure, energetics, clustering and migration of point-defects in silicon
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