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CNDO studies of Y-Ba-Cu-O superconductors V. Co/Cu substitution

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Czechoslovak Journal of Physics Aims and scope

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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Authors and Affiliations

  1. Department of Physical Chemistry, Slovak Technical University, Radlinského 9, 81237, Bratislava, Slovakia

    Martin Breza

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  1. Martin Breza
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Breza, M. CNDO studies of Y-Ba-Cu-O superconductors V. Co/Cu substitution. Czech J Phys 46, 873–880 (1996). https://doi.org/10.1007/BF01742457

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  • DOI: https://doi.org/10.1007/BF01742457

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