Comparison of the electronic structure of La/sub 2/CuO/sub 4/, La/sub 2/NiO/sub 4/, and K/sub 2/CuF/sub 4/
Conference
·
OSTI ID:5777485
We report local density calculations of parameters defining extended Hubbard Hamiltonians for La/sub 2/CuO/sub 4/, La/sub 2/NiO/sub 4/, and K/sub 2/CuF/sub 4/, and solve these models for small clusters. These results suggest qualitative differences among the three compounds in regard to spin system, carriers, and carrier --- spin interactions. 6 refs., 2 tabs.
- Research Organization:
- Lawrence Livermore National Lab., CA (USA)
- DOE Contract Number:
- W-7405-ENG-48
- OSTI ID:
- 5777485
- Report Number(s):
- UCRL-101356; CONF-890718-18; ON: DE89016644
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALKALI METAL COMPOUNDS
CHALCOGENIDES
COPPER COMPOUNDS
COPPER FLUORIDES
COPPER HALIDES
COPPER OXIDES
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
HAMILTONIANS
LANTHANUM COMPOUNDS
MAGNETIC PROPERTIES
MATHEMATICAL OPERATORS
NICKEL COMPOUNDS
NICKEL OXIDES
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
POTASSIUM COMPOUNDS
QUANTUM OPERATORS
RARE EARTH COMPOUNDS
SUPERCONDUCTIVITY
TRANSITION ELEMENT COMPOUNDS
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALKALI METAL COMPOUNDS
CHALCOGENIDES
COPPER COMPOUNDS
COPPER FLUORIDES
COPPER HALIDES
COPPER OXIDES
ELECTRIC CONDUCTIVITY
ELECTRICAL PROPERTIES
ELECTRONIC STRUCTURE
FLUORIDES
FLUORINE COMPOUNDS
HALIDES
HALOGEN COMPOUNDS
HAMILTONIANS
LANTHANUM COMPOUNDS
MAGNETIC PROPERTIES
MATHEMATICAL OPERATORS
NICKEL COMPOUNDS
NICKEL OXIDES
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
POTASSIUM COMPOUNDS
QUANTUM OPERATORS
RARE EARTH COMPOUNDS
SUPERCONDUCTIVITY
TRANSITION ELEMENT COMPOUNDS