Orbital polarization and the insulating gap in the transition-metal oxides

Journal Article · Mon Mar 05 00:00:00 EST 1990 · Physical Review Letters; (USA)

DOI:https://doi.org/10.1103/PhysRevLett.64.1162· OSTI ID:6925983

Norman, M R ^[1]

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1. Materials Science Division, Argonne National Laboratory, Argonne, Illinois 60439 (USA)

It is shown that an orbital-polarization correction to a spin-polarized band-structure calculation leads to an insulating gap for CoO, in sharp contrast to a standard band calculation. Orbital-polarization instabilities, though, are not found for FeO and La{sub 2}CuO{sub 4}.

• Research Organization: Argonne National Laboratory (ANL), Argonne, IL
• DOE Contract Number: W-31109-ENG-38
• OSTI ID: 6925983
• Journal Information: Physical Review Letters; (USA), Vol. 64:10; ISSN 0031-9007
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
COBALT OXIDES
ELECTRONIC STRUCTURE
COPPER OXIDES
IRON OXIDES
LANTHANUM OXIDES
NICKEL OXIDES
ANTIFERROMAGNETISM
COMPUTER CODES
CORRECTIONS
ENERGY-LEVEL DENSITY
FERMI LEVEL
INSTABILITY
ORBITAL ANGULAR MOMENTUM
SPIN ORIENTATION
THEORETICAL DATA
TRANSITION ELEMENT COMPOUNDS
ANGULAR MOMENTUM
CHALCOGENIDES
COBALT COMPOUNDS
COPPER COMPOUNDS
DATA
ENERGY LEVELS
INFORMATION
IRON COMPOUNDS
LANTHANUM COMPOUNDS
MAGNETISM
NICKEL COMPOUNDS
NUMERICAL DATA
ORIENTATION
OXIDES
OXYGEN COMPOUNDS
RARE EARTH COMPOUNDS
360204* - Ceramics
Cermets
& Refractories- Physical Properties