Exchange coupling in transition metal monoxides: Electronic structure calculations
نویسندگان
چکیده
منابع مشابه
Insulating ground States of transition-metal monoxides from exact exchange.
The exact exchange of density functional theory is used to calculate the electronic structure of the antiferromagnetic (type II) phases of the transition-metal monoxides MnO, FeO, CoO, and NiO at T=0. In contrast with the local density approximation (LDA) and generalized gradient approximation, the exact exchange (combined with LDA correlation) correctly yields insulating ground states for all ...
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ژورنال
عنوان ژورنال: Physical Review B
سال: 2009
ISSN: 1098-0121,1550-235X
DOI: 10.1103/physrevb.80.014408