Document Type

Presentation

Publication Date

January 2004

Abstract

Before photoemission studies [1995] measured the symmetry of layer cuprate conduction states along the (xy),(-x-y) direction of the unit cell, a SCF analysis [1993] gave the symmetry of the HOMO & LUMO showing O:2pxy-O:2pxy charge de-localization for the conducting CuO2 layer in a superconducting cuprate (T'-Nd2CuO4 in the crystal field of point charges of nearest neighbor unit cells). The predictive power of MO calculations are applied now to understand the concept of valence and periodic lattice distortions commonly found in these solids [2003].

Comments

Poster Presentation.

Included in

Chemistry Commons

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