Spectroscopic Properties of the High-Tc Materials by the Ab Initio Quantum Chemistry Paradigm

Author:

Panas Itai1,Johnson Tobias1,Snis Anders1

Affiliation:

1. Inorganic Environmental Chemistry, Göteborg University and Chalmers University of Technology Kemivägen 10, S-412 96 Göteborg, Sweden

Abstract

The σ-π splitting for an embedded O - ion in a CuO2 plane is estimated and effects of crystal fields are evaluated. High fields favor σ-hole while the π-hole scenario is favored in low lattice fields. The results are discussed in the context of the tow-bands Raman continuum understanding put forward by Monien and Zawadowski2 and argued to support a recently proposed two-bands two-physics mechanism for superconductivity in the cuprates.

Publisher

World Scientific Pub Co Pte Lt

Subject

Condensed Matter Physics,Statistical and Nonlinear Physics

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