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Title: Temperature dependence of the local structure of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ with varying oxygen content: An x-ray-absorption study

Abstract

The local structure of YBa/sub 2/Cu/sub 3/O/sub y/ determined using x-ray-absorption fine structure (XAFS) agrees well with the long-range order given by diffraction results for both oxygen-rich, orthorhombic (y = 6.98 and 6.87) and oxygen-deficient, tetragonal (y = 6.15) compounds. The x-ray-absorption near-edge structure supports the conclusion that, as y = 7 goes to y = 6, the O is removed from the chains and the chain Cu atoms, Cu(1), becomes monovalent with a linear O-Cu-O structural configuration and a 3d/sup 10/ electronic configuration, as in Cu/sub 2/O. For the XAFS analysis, structural standards were determined, and these standards worked well not only for the Cu first-neighbor O environment but also for the Cu second-neighbor metal-atom environment out to 4 A. A detailed multipeak analysis reproduced the XAFS spectra well and yielded structural parameters that agree with diffraction. The temperature dependence of the structural parameters shows only a smooth variation, with no significant anomalies. The Cu-X distances have a negligible to a small positive change with temperature, consistent with the lattice expansion. The exception is the Cu-Ba distances which change substantially; the Cu(1)-Ba distance increases and the Cu(2)-Ba distance decreases. This indicates that the Ba moves away from the Cu(1)-Omore » chains and toward the Cu(2)-O planes with increasing temperature and that anharmonicity plays a role. This motion is larger for the oxygen-depleted compound than for the fully oxygenated material. The in-plane Cu-O first-neighbor vibrations exhibit no significant softening with temperature.« less

Authors:
; ; ;
Publication Date:
Research Org.:
Xerox Palo Alto Research Center, Palo Alto, California 94304
OSTI Identifier:
6408453
Resource Type:
Journal Article
Journal Name:
Phys. Rev. B: Condens. Matter; (United States)
Additional Journal Information:
Journal Volume: 39:10
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY; BARIUM OXIDES; CRYSTAL STRUCTURE; TEMPERATURE DEPENDENCE; COPPER OXIDES; YTTRIUM OXIDES; ABSORPTION SPECTROSCOPY; CRYSTAL-PHASE TRANSFORMATIONS; ELECTRONIC STRUCTURE; HIGH TEMPERATURE; LOW TEMPERATURE; MEDIUM TEMPERATURE; ONE-DIMENSIONAL CALCULATIONS; ORTHORHOMBIC LATTICES; PEROVSKITES; QUANTITY RATIO; STOICHIOMETRY; STRUCTURAL CHEMICAL ANALYSIS; SUPERCONDUCTORS; TETRAGONAL LATTICES; TRANSITION TEMPERATURE; TWO-DIMENSIONAL CALCULATIONS; ULTRALOW TEMPERATURE; VERY LOW TEMPERATURE; ALKALINE EARTH METAL COMPOUNDS; BARIUM COMPOUNDS; CHALCOGENIDES; COPPER COMPOUNDS; CRYSTAL LATTICES; OXIDES; OXYGEN COMPOUNDS; PHASE TRANSFORMATIONS; PHYSICAL PROPERTIES; SPECTROSCOPY; THERMODYNAMIC PROPERTIES; TRANSITION ELEMENT COMPOUNDS; YTTRIUM COMPOUNDS; 360202* - Ceramics, Cermets, & Refractories- Structure & Phase Studies; 656100 - Condensed Matter Physics- Superconductivity

Citation Formats

Boyce, J B, Bridges, F, Claeson, T, and Nygren, M. Temperature dependence of the local structure of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ with varying oxygen content: An x-ray-absorption study. United States: N. p., 1989. Web. doi:10.1103/PhysRevB.39.6555.
Boyce, J B, Bridges, F, Claeson, T, & Nygren, M. Temperature dependence of the local structure of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ with varying oxygen content: An x-ray-absorption study. United States. https://doi.org/10.1103/PhysRevB.39.6555
Boyce, J B, Bridges, F, Claeson, T, and Nygren, M. 1989. "Temperature dependence of the local structure of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ with varying oxygen content: An x-ray-absorption study". United States. https://doi.org/10.1103/PhysRevB.39.6555.
@article{osti_6408453,
title = {Temperature dependence of the local structure of YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/ with varying oxygen content: An x-ray-absorption study},
author = {Boyce, J B and Bridges, F and Claeson, T and Nygren, M},
abstractNote = {The local structure of YBa/sub 2/Cu/sub 3/O/sub y/ determined using x-ray-absorption fine structure (XAFS) agrees well with the long-range order given by diffraction results for both oxygen-rich, orthorhombic (y = 6.98 and 6.87) and oxygen-deficient, tetragonal (y = 6.15) compounds. The x-ray-absorption near-edge structure supports the conclusion that, as y = 7 goes to y = 6, the O is removed from the chains and the chain Cu atoms, Cu(1), becomes monovalent with a linear O-Cu-O structural configuration and a 3d/sup 10/ electronic configuration, as in Cu/sub 2/O. For the XAFS analysis, structural standards were determined, and these standards worked well not only for the Cu first-neighbor O environment but also for the Cu second-neighbor metal-atom environment out to 4 A. A detailed multipeak analysis reproduced the XAFS spectra well and yielded structural parameters that agree with diffraction. The temperature dependence of the structural parameters shows only a smooth variation, with no significant anomalies. The Cu-X distances have a negligible to a small positive change with temperature, consistent with the lattice expansion. The exception is the Cu-Ba distances which change substantially; the Cu(1)-Ba distance increases and the Cu(2)-Ba distance decreases. This indicates that the Ba moves away from the Cu(1)-O chains and toward the Cu(2)-O planes with increasing temperature and that anharmonicity plays a role. This motion is larger for the oxygen-depleted compound than for the fully oxygenated material. The in-plane Cu-O first-neighbor vibrations exhibit no significant softening with temperature.},
doi = {10.1103/PhysRevB.39.6555},
url = {https://www.osti.gov/biblio/6408453}, journal = {Phys. Rev. B: Condens. Matter; (United States)},
number = ,
volume = 39:10,
place = {United States},
year = {Sat Apr 01 00:00:00 EST 1989},
month = {Sat Apr 01 00:00:00 EST 1989}
}