Theory and Experiments: SCF Calculations/XRD/Enhanced Scattering/PLD in YBCO7-d Nano Film

Authors

H. Sahibudeen, San Jose State University
M. Navacerrada, Universidad Complutense de Madrid
Juana Acrivos, San José State UniversityFollow

Document Type

Presentation

Publication Date

January 2004

Publication Title

Del Amo, NATO, NSF, Dreyfus Senior Awards

Disciplines

Chemistry

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.

Recommended Citation

H. Sahibudeen, M. Navacerrada, and Juana Acrivos. "Theory and Experiments: SCF Calculations/XRD/Enhanced Scattering/PLD in YBCO7-d Nano Film" Del Amo, NATO, NSF, Dreyfus Senior Awards (2004).