Theoretical studies of structural properties of the high-Tc superconductor Y1Ba2Cu3O7-x
Research output: Contribution to journal › Article › Scientific › peer-review
|Number of pages||2|
|Journal||Physica C: Superconductivity and its Applications|
|Issue number||PART 1|
|Publication status||Published - 1 Jan 1989|
|Publication type||Not Eligible|
Structural properties of the high temperature oxide superconductor Y1Ba2Cu3O7-gc have been studied by static lattice simulation methods. Empirical (ionic) potentials, derived on the basis of experimental data, are used to describe the basic structural properties of the superconductive oxides. Several potential models, with different location of the extra charge for the O7 compound, have been tested with respect to experimental lattice parameters. Fair parametrizations have been found in almost all cases, but they are usually valid only for a specific oxygen content. However, potential models, consistent both for O6 and O7, have been found. We present the best of our ionic models, where, in O7, two thirds of the holes are distributed in the sheet-site oxygens and one third in oxygens between the sheet and chain planes.