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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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Published in: | Physica. C, Superconductivity Superconductivity, 2000, Vol.341, p.653-654 |
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Main Authors: | , |
Format: | Article |
Language: | English |
Citations: | Items that this one cites Items that cite this one |
Online Access: | Get full text |
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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. |
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ISSN: | 0921-4534 1873-2143 |
DOI: | 10.1016/S0921-4534(00)00634-1 |