CNDO studies of Y-Ba-Cu-O superconductors V. Co/Cu substitution |
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| Authors: | Martin Breza |
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| Institution: | (1) Department of Physical Chemistry, Slovak Technical University, Radlinského 9, 81237 Bratislava, Slovakia |
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| Abstract: | Electronic properties of Co
n
Cu3–n
O12]–17 and Ba8Co
n
Cu3–n
O12]–1 model clusters (n=0–3) are investigated using CNDO molecular orbital method. Our results well reproduce the trends of experimental data on Cu-O bond lengths and supposed negative charge transfer from central Cu(1)O chains to lateral Cu(2)O2 planes with increasing Co content. |
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| Keywords: | |
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