Self-Consistent Green's-Function Calculation of the Ideal Si Vacancy
- 25 September 1978
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 41 (13) , 892-895
- https://doi.org/10.1103/physrevlett.41.892
Abstract
We have developed a method for solving the Green's-function equations describing an isolated localized defect in an otherwise perfect crystal. It yields a charge density in sufficinet detail to allow recalculation of the potential and iteration to self-consistency. The method is applied to the ideal (unrelaxed) vacancy in silicon, in the ionic-pseudopotential, local-exchange-correlation approximation.Keywords
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