Vacancy in Si: Successful description within the local-density approximation
- 23 March 1992
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 68 (12) , 1858-1861
- https://doi.org/10.1103/physrevlett.68.1858
Abstract
We have performed large-scale total-energy electronic-structure calculations within the local-density approximation for the negatively charged vacancy in Si. The obtained Jahn-Teller distortion, the electronic structures, and the hyperfine coupling tensors are in good agreement with the experimental data available, indicating the validity of the one-electron theory, contrary to the prevailing picture based on model calculations.Keywords
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