Calculation of the electronic structure of YBa sub 2 (Cu sub 1 minus x Zn sub x ) sub 3 O sub 7 in terms of the real-space-scattering coherent-potential approximation
- Institut fuer Technische Elektrochemie, Technische Universitaet Wien, Wien (Austria)
- Institut fuer Physikalische Chemie, Universitaet Wien, Wien (Austria)
The electronic structure of the Y-Ba-Cu-O system as alloyed by Zn on the Cu(1) and Cu(2) sublattices is calculated for Zn contents up to {ital x}=0.1. Distinct differences for these two cases of alloy formation are found in terms of partial densities of states (DOS's). The Fermi level and the DOS at the Fermi level, however, vary similarly with the Zn concentration. This behavior can be explained using a description of localization based on integrated local DOS's. In general, calculated spectroscopic properties like x-ray-emission and x-ray photoemission spectroscopy are sensitive with respect to Zn substitution, but too insensitive to resolve differences with respect to the alloy formation on the different sublattices of Cu.
- OSTI ID:
- 6826208
- Journal Information:
- Physical Review, B: Condensed Matter; (USA), Vol. 42:1, Issue 1; ISSN 0163-1829
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
BARIUM OXIDES
ELECTRONIC STRUCTURE
COPPER OXIDES
YTTRIUM OXIDES
CORRELATIONS
ENERGY-LEVEL DENSITY
FERMI LEVEL
HIGH-TC SUPERCONDUCTORS
IMPURITIES
QUANTITY RATIO
TRANSITION TEMPERATURE
ZINC ADDITIONS
ALKALINE EARTH METAL COMPOUNDS
ALLOYS
BARIUM COMPOUNDS
CHALCOGENIDES
COPPER COMPOUNDS
ENERGY LEVELS
OXIDES
OXYGEN COMPOUNDS
PHYSICAL PROPERTIES
SUPERCONDUCTORS
THERMODYNAMIC PROPERTIES
TRANSITION ELEMENT COMPOUNDS
YTTRIUM COMPOUNDS
ZINC ALLOYS
360204* - Ceramics
Cermets
& Refractories- Physical Properties