Orbital polarization and the insulating gap in the transition-metal oxides
Journal Article
·
· Physical Review Letters; (USA)
- 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), Journal Name: Physical Review Letters; (USA) Vol. 64:10; ISSN PRLTA; ISSN 0031-9007
- Country of Publication:
- United States
- Language:
- English
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Conference
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Mon Dec 30 23:00:00 EST 1991
·
OSTI ID:39230
Crystal-field polarization and the insulating gap in FeO, CoO, NiO, and La sub 2 CuO sub 4 (US). [FeO; CoO; NiO; La d2CuO d ix]
Journal Article
·
Mon Jul 15 00:00:00 EDT 1991
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·
OSTI ID:5391245
Implications of Hund`s second rule for the insulating behavior of FeO and CoO
Technical Report
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Wed Oct 31 23:00:00 EST 1990
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OSTI ID:10132900
Related Subjects
36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ANGULAR MOMENTUM
ANTIFERROMAGNETISM
CHALCOGENIDES
COBALT COMPOUNDS
COBALT OXIDES
COMPUTER CODES
COPPER COMPOUNDS
COPPER OXIDES
CORRECTIONS
DATA
ELECTRONIC STRUCTURE
ENERGY LEVELS
ENERGY-LEVEL DENSITY
FERMI LEVEL
INFORMATION
INSTABILITY
IRON COMPOUNDS
IRON OXIDES
LANTHANUM COMPOUNDS
LANTHANUM OXIDES
MAGNETISM
NICKEL COMPOUNDS
NICKEL OXIDES
NUMERICAL DATA
ORBITAL ANGULAR MOMENTUM
ORIENTATION
OXIDES
OXYGEN COMPOUNDS
RARE EARTH COMPOUNDS
SPIN ORIENTATION
THEORETICAL DATA
TRANSITION ELEMENT COMPOUNDS
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ANGULAR MOMENTUM
ANTIFERROMAGNETISM
CHALCOGENIDES
COBALT COMPOUNDS
COBALT OXIDES
COMPUTER CODES
COPPER COMPOUNDS
COPPER OXIDES
CORRECTIONS
DATA
ELECTRONIC STRUCTURE
ENERGY LEVELS
ENERGY-LEVEL DENSITY
FERMI LEVEL
INFORMATION
INSTABILITY
IRON COMPOUNDS
IRON OXIDES
LANTHANUM COMPOUNDS
LANTHANUM OXIDES
MAGNETISM
NICKEL COMPOUNDS
NICKEL OXIDES
NUMERICAL DATA
ORBITAL ANGULAR MOMENTUM
ORIENTATION
OXIDES
OXYGEN COMPOUNDS
RARE EARTH COMPOUNDS
SPIN ORIENTATION
THEORETICAL DATA
TRANSITION ELEMENT COMPOUNDS