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Title: 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

Abstract

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.

Authors:
; ;  [1]; ;  [2]
  1. Institut fuer Technische Elektrochemie, Technische Universitaet Wien, Wien (Austria)
  2. Institut fuer Physikalische Chemie, Universitaet Wien, Wien (Austria)
Publication Date:
OSTI Identifier:
6826208
Resource Type:
Journal Article
Journal Name:
Physical Review, B: Condensed Matter; (USA)
Additional Journal Information:
Journal Volume: 42:1; Journal Issue: 1; Journal ID: ISSN 0163-1829
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 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

Citation Formats

Szunyogh, L, Koenig, U, Weinberger, P, Podloucky, R, and Herzig, P. 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. United States: N. p., 1990. Web. doi:10.1103/PhysRevB.42.432.
Szunyogh, L, Koenig, U, Weinberger, P, Podloucky, R, & Herzig, P. 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. United States. https://doi.org/10.1103/PhysRevB.42.432
Szunyogh, L, Koenig, U, Weinberger, P, Podloucky, R, and Herzig, P. 1990. "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". United States. https://doi.org/10.1103/PhysRevB.42.432.
@article{osti_6826208,
title = {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},
author = {Szunyogh, L and Koenig, U and Weinberger, P and Podloucky, R and Herzig, P},
abstractNote = {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.},
doi = {10.1103/PhysRevB.42.432},
url = {https://www.osti.gov/biblio/6826208}, journal = {Physical Review, B: Condensed Matter; (USA)},
issn = {0163-1829},
number = 1,
volume = 42:1,
place = {United States},
year = {Sun Jul 01 00:00:00 EDT 1990},
month = {Sun Jul 01 00:00:00 EDT 1990}
}