Electronic band structure of CaBi/sub 2/Sr/sub 2/Cu/sub 2/O/sub 8/

Journal Article · Mon Apr 18 00:00:00 EDT 1988 · Phys. Rev. Lett.; (United States)

DOI:https://doi.org/10.1103/PhysRevLett.60.1661· OSTI ID:5311143

Hybertsen, M S; Mattheiss, L F

The band structure for body-centered tetragonal CaBi/sub 2/Sr/sub 2/Cu/sub 2/O/sub 8/ has been calculated in the local-density--functional approach by the linearized muffin-tin--orbital method with the atomic-sphere approximation. This is the undistorted, stoichiometric parent compound to the recently reported 84-K superconductor. The main band features at the Fermi level include a pair of nearly half-filled two-dimensional Cu-O 3d-2p bands similar to those found in the previous Cu-O planar superconductors as well as a pair of slightly filled Bi 6p bands that provide additional carriers in the Bi-O planes.

• Research Organization: ATandT Bell Laboratories, Murray Hill, New Jersey 07974
• OSTI ID: 5311143
• Journal Information: Phys. Rev. Lett.; (United States), Vol. 60:16
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
BISMUTH COMPOUNDS
ELECTRONIC STRUCTURE
CALCIUM COMPOUNDS
COPPER OXIDES
STRONTIUM COMPOUNDS
BCC LATTICES
MUFFIN-TIN POTENTIAL
STOICHIOMETRY
SUPERCONDUCTORS
ALKALINE EARTH METAL COMPOUNDS
CHALCOGENIDES
COPPER COMPOUNDS
CRYSTAL LATTICES
CRYSTAL STRUCTURE
CUBIC LATTICES
OXIDES
OXYGEN COMPOUNDS
POTENTIALS
TRANSITION ELEMENT COMPOUNDS
360204* - Ceramics
Cermets
& Refractories- Physical Properties