Document Type

Presentation

Publication Date

January 2004

Abstract

X-Ray diffraction above and below the transition temperature to superconductivity Tc are correlated using SCF-MOLECOLE computations that describe the CuO2 layer (fig. 1) in the field of 9 unit cells of YBa2Cu3O7. The MO symmetry, charge transfer and OAOB bond mobility are compared to the data using the highest occupiedmolecular orbitals, MO-i (HOMO=MO0) bases to construct the layer tight-binding extended state.

Comments

Poster Presentation.

Included in

Chemistry Commons

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