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Cluster studies of the electronic structure of Cu-O chains in high-temperature superconductors

Technical Report ·
OSTI ID:6952533
; ;
The electronic structure of copper-oxygen chains present in the crystal structure of high-temperature superconductors typified by YBa/sub 2/Cu/sub 3/O/sub 7/ is investigated by means of self-consistent local-spin-density calculations for a cluster of Ba/sub 4/Cu/sub 2/O/sub 7/ in different charge states. No magnetic moments are found on the Cu ions. The nature of the chemical bonding in the cluster is discussed on the basis of the calculated charge density.
Research Organization:
Louisiana State Univ., Baton Rouge (USA). Dept. of Physics
OSTI ID:
6952533
Report Number(s):
AD-A-191970/3/XAB
Country of Publication:
United States
Language:
English

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Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
BARIUM OXIDES
CHAINS
CHALCOGENIDES
CHARGE DENSITY
CHARGED PARTICLES
CHEMICAL BONDS
COPPER COMPOUNDS
COPPER OXIDES
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
IONS
MAGNETIC MOMENTS
OXIDES
OXYGEN COMPOUNDS
SUPERCONDUCTORS
TRANSITION ELEMENT COMPOUNDS
YTTRIUM COMPOUNDS
YTTRIUM OXIDES