Band theory and the insulating gap in CoO
Physical Review B, ISSN: 0163-1829, Vol: 40, Issue: 15, Page: 10632-10634
1989
- 11Citations
- 19Captures
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Article Description
Results of three magnetic-polarized local-density calculations on the Mott insulator CoO are presented: (1) a spin-polarized calculation in the type-II antiferromagnetic (AF) state, (2) a spin-polarized calculation in the observed bct AF state, and (3) a moment-polarized calculation in the type-II AF state with spin-orbit coupling. In all three cases, a large density of states at the Fermi energy is found. It is concluded that the insulating behavior of CoO is intimately connected to the formation of a multideterminant ground state and is therefore outside the bounds of standard band theory. © 1989 The American Physical Society.
Bibliographic Details
http://www.scopus.com/inward/record.url?partnerID=HzOxMe3b&scp=23544460509&origin=inward; http://dx.doi.org/10.1103/physrevb.40.10632; http://www.ncbi.nlm.nih.gov/pubmed/9991619; https://link.aps.org/doi/10.1103/PhysRevB.40.10632; http://harvest.aps.org/v2/journals/articles/10.1103/PhysRevB.40.10632/fulltext; http://link.aps.org/article/10.1103/PhysRevB.40.10632
American Physical Society (APS)
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