Electronic band properties of Ba/sub 2/Tl/sub 2/CuO/sub 6/

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

DOI:https://doi.org/10.1103/PhysRevB.38.5138· OSTI ID:6933512

Hamann, D R; Mattheiss, L F

The electronic structure of body-centered tetragonal Ba/sub 2/Tl/sub 2/CuO/sub 6/, the simplest member of a new family of high-T/sub c/ superconducting cuprates, has been calculated with the use of the linear augmented-plane-wave method. The overall results exhibit features that are similar to those of the earlier cuprate superconductors. A unique feature is a pair of slightly filled antibonding Tl(6s)-O(2p) subbands that decrease the effective valence of the oxygen atoms in the Ba and Tl planes.

• Research Organization: ATandT Bell Laboratories, Murray Hill, New Jersey 07974
• OSTI ID: 6933512
• Journal Information: Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 38:7; ISSN PRBMD
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
360204* -- Ceramics
Cermets
& Refractories-- Physical Properties
656100 -- Condensed Matter Physics-- Superconductivity
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ALKALINE EARTH METAL COMPOUNDS
BARIUM COMPOUNDS
BARIUM OXIDES
CHALCOGENIDES
COPPER
CRYSTAL LATTICES
CRYSTAL STRUCTURE
ELECTRONIC STRUCTURE
ELEMENTS
METALS
NONMETALS
OXIDES
OXYGEN
OXYGEN COMPOUNDS
SUPERCONDUCTORS
TETRAGONAL LATTICES
THALLIUM COMPOUNDS
THALLIUM OXIDES
TRANSITION ELEMENTS
VALENCE