By combining tight-binding molecular dynamics and restricted Hartree-Fock calculations we present a quantitative picture for chemical bond in silicon when point defects are present.
A Theoretical investigation on the chemical bonding of interstitial and vacancy defects in silicon during their migration
F Cargnoni;C Gatti
1997
Abstract
By combining tight-binding molecular dynamics and restricted Hartree-Fock calculations we present a quantitative picture for chemical bond in silicon when point defects are present.File in questo prodotto:
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Descrizione: A Theoretical investigation on the chemical bonding of interstitial and vacancy defects in silicon during their migration
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