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Oxygen stoichiometry, disordering, and the orthorhombic-to-tetragonal transition in YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/

Journal Article · · Phys. Rev. B: Condens. Matter; (United States)
A mean-field theory for oxygen unloading and disordering is presented as a model for the orthorhombic-to-tetragonal (OT) transition in YBa/sub 2/Cu/sub 3/O/sub 7-//sub delta/. The results successfully match the stoichiometry and ordering measured by thermal gravimetry and neutron powder diffraction structural refinements. The O(1) or O(5) site energy at infinite dilution is found to be -3.73 eV. The O(1)-O(5) interaction energy is 0.09 +- 0.003 eV and the twin plane energy estimated to be 2.2 x 10/sup -2/ J/m/sup 2/.
Research Organization:
Department of Materials, Imperial college, London SW7 2BP, United Kingdom
OSTI ID:
6553484
Journal Information:
Phys. Rev. B: Condens. Matter; (United States), Journal Name: Phys. Rev. B: Condens. Matter; (United States) Vol. 39:4; ISSN PRBMD
Country of Publication:
United States
Language:
English