Theory of63Cu and17O quadrupole interactions in copper oxide high-T
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| Authors: | N Sahoo Sigrid Markert T P Das K Nagamine |
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| Institution: | (1) Department of Physics, State University of New York at Albany, 12222 Albany, NY, USA;(2) Meson Science Laboratory, Faculty of Science, University of Tokyo, Bunkyo-Ku, 113 Tokyo, Japan |
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| Abstract: | Electronic wave-functions obtained by the first-principles Unrestricted Hartree-Fock Cluster procedure are utilized to evaluate
the electric field-gradient tensors at the63Cu and17O nuclei in YBa2Cu3O7. Our results provide satisfactory explanations of the available nuclear quadrupole interaction data for this system. |
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