Applicability of the local-density theory to interstitial transition-metal impurities in silicon
- 15 September 1983
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 28 (6) , 3628-3631
- https://doi.org/10.1103/physrevb.28.3628
Abstract
It is shown that the local-density formalism does not describe correctly the symmetry of the many-electron ground state of unrelaxed interstitial transition-atom impurities in silicon, but that a self-interaction correction to it produces the observed ground-state symmetries.Keywords
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