Electronic band properties of CaSr/sub 2/Bi/sub 2/Cu/sub 2/O/sub 8/

Journal Article · Thu Sep 01 00:00:00 EDT 1988 · Phys. Rev. B: Condens. Matter; (United States)

DOI:https://doi.org/10.1103/PhysRevB.38.5012· OSTI ID:6844714

Mattheiss, L F; Hamann, D R

The electronic structure of body-centered tetragonal CaSr/sub 2/Bi/sub 2/Cu/sub 2/O/sub 8/, an undistorted stoichiometric prototype of the latest high-T/sub c/ superconducting cuprate, has been calculated with the use of the linear augmented-plane-wave method. The overall results are similar to those of the earlier cuprates, exhibiting band characteristics that are strongly two dimensional. The new compound features pairs of conducting BiO and CuO/sub 2/ planes in which the lowest pair of antibonding Bi(6p)-O(2p) bands are slightly (approx.4%) occupied and the corresponding pair of planar Cu(3d)-O(2p) bands are less than half filled (approx.46%).

• Research Organization: ATandT Bell Laboratories, Murray Hill, New Jersey 07974
• OSTI ID: 6844714
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Vol. 38:7
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BISMUTH OXIDES
ELECTRONIC STRUCTURE
CALCIUM OXIDES
COPPER OXIDES
STRONTIUM OXIDES
DENSITY
FUNCTIONALS
ORTHORHOMBIC LATTICES
SELF-CONSISTENT FIELD
SUPERLATTICES
TETRAGONAL LATTICES
ALKALINE EARTH METAL COMPOUNDS
BISMUTH COMPOUNDS
CALCIUM COMPOUNDS
CHALCOGENIDES
COPPER COMPOUNDS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
FUNCTIONS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
STRONTIUM COMPOUNDS
TRANSITION ELEMENT COMPOUNDS
360204* - Ceramics
Cermets
& Refractories- Physical Properties