Metal-insulator transition in Kohn-Sham theory and quasiparticle theory
- 6 March 1989
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review Letters
- Vol. 62 (10) , 1169-1172
- https://doi.org/10.1103/physrevlett.62.1169
Abstract
We investigate the pressure-induced metal-insulator transition of silicon in the diamond structure. Quasiparticle theory (QPT) calculations are performed within the GW approximation, and Kohn-Sham theory (KST) results are obtained by using an exchange-correlation potential derived from the GW self-energy operator, not using the common local-density approximation (LDA). In both KST and the LDA, metallization occurs at a much larger volume than in QPT. These results suggest that the metallization point and Fermi surface of the Kohn-Sham electrons are not necessarily those of the real system.Keywords
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