Godby, R.W. and Needs, R.J. (1989) The metal-insulator transition in quasiparticle theory and Kohn-Sham theory. Physical Review Letters, 62 (10). pp. 1169-1172. ISSN 0031-9007
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.
Metadata
Item Type: | Article |
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Authors/Creators: |
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Copyright, Publisher and Additional Information: | © 1989 American Physical Society. |
Dates: |
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Institution: | The University of York |
Academic Units: | The University of York > Faculty of Sciences (York) > Physics (York) |
Depositing User: | Physics Import |
Date Deposited: | 18 Sep 2008 15:30 |
Last Modified: | 18 Sep 2008 15:30 |
Published Version: | http://link.aps.org/abstract/PRL/v62/p1169 |
Status: | Published |
Publisher: | American Physical Society |
Refereed: | Yes |
Identification Number: | 10.1103/PhysRevLett.62.1169 |
Related URLs: | |
Open Archives Initiative ID (OAI ID): | oai:eprints.whiterose.ac.uk:3966 |