skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

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

Abstract

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%).

Authors:
;
Publication Date:
Research Org.:
ATandT Bell Laboratories, Murray Hill, New Jersey 07974
OSTI Identifier:
6844714
Resource Type:
Journal Article
Journal Name:
Phys. Rev. B: Condens. Matter; (United States)
Additional Journal Information:
Journal Volume: 38:7
Country of Publication:
United States
Language:
English
Subject:
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

Citation Formats

Mattheiss, L F, and Hamann, D R. Electronic band properties of CaSr/sub 2/Bi/sub 2/Cu/sub 2/O/sub 8/. United States: N. p., 1988. Web. doi:10.1103/PhysRevB.38.5012.
Mattheiss, L F, & Hamann, D R. Electronic band properties of CaSr/sub 2/Bi/sub 2/Cu/sub 2/O/sub 8/. United States. https://doi.org/10.1103/PhysRevB.38.5012
Mattheiss, L F, and Hamann, D R. 1988. "Electronic band properties of CaSr/sub 2/Bi/sub 2/Cu/sub 2/O/sub 8/". United States. https://doi.org/10.1103/PhysRevB.38.5012.
@article{osti_6844714,
title = {Electronic band properties of CaSr/sub 2/Bi/sub 2/Cu/sub 2/O/sub 8/},
author = {Mattheiss, L F and Hamann, D R},
abstractNote = {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%).},
doi = {10.1103/PhysRevB.38.5012},
url = {https://www.osti.gov/biblio/6844714}, journal = {Phys. Rev. B: Condens. Matter; (United States)},
number = ,
volume = 38:7,
place = {United States},
year = {Thu Sep 01 00:00:00 EDT 1988},
month = {Thu Sep 01 00:00:00 EDT 1988}
}