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), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 38:7; ISSN PRBMD
• Country of Publication: United States
• Language: English

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36 MATERIALS SCIENCE
360204* -- Ceramics
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& Refractories-- Physical Properties
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CHALCOGENIDES
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CRYSTAL LATTICES
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