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Study of the electronic structure of Zn-doped Y123 ceramics

The electronic structure of undoped and Zn-doped Y123 ceramics is studied by means of the embedded cluster method at the MP2 electron correlation level. The Zn impurity is found to be a source of nonhomogeneity in the hole density distribution in the CuO 2 planes which acts as an extended and strong...

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Bibliographic Details
Published in:Physica. C, Superconductivity Superconductivity, 2000, Vol.341, p.653-654
Main Authors: Soullard, J., Kaplan, I.G.
Format: Article
Language:English
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Summary:The electronic structure of undoped and Zn-doped Y123 ceramics is studied by means of the embedded cluster method at the MP2 electron correlation level. The Zn impurity is found to be a source of nonhomogeneity in the hole density distribution in the CuO 2 planes which acts as an extended and strong scattering center. In Zn-doped ceramics the orbital symmetry of holes on nearest-neighbor oxygens is changed: in addition to the 2pσ symmetry which characterizes the pure material, a 30% contribution of the 2pπ (in plane) symmetry is revealed. The latter can hinder the hole-pair formation on oxygen ions.
ISSN:0921-4534
1873-2143
DOI:10.1016/S0921-4534(00)00634-1