Chemical analysis of the superconducting cuprates by means of theory
Kapitel i bok, 2000

An atomistic quantum chemical understanding of superconductivity in the cuprates is articulated. A cluster model is formulated and evaluated by means of the regularized complete active space self-consistent field (reg-CASSCF) method. We quantify charge carriers pairing in one band, local antiferromagnetic (AF) order in a second-band and spin-mediated, nonadiabatic coupling between the two disjoint metallic and magnetic degrees of freedom. The latter resonance is pair-breaking, and becomes spin and symmetry allowed by the "simultaneous" spin excitation in the disjoint local magnetic system. If embedded in a (fluctuating) AF background (i.e., below T-SG), long-range phase coherence necessarily results by means of the local magnetic response initiating virtual spin excitations, the absorption of which elsewhere in the material ensures delocalization of the pair amplitudes.

Författare

Itai Panas

Chalmers, Institutionen för oorganisk miljökemi

STRIPES AND RELATED PHENOMENA

391-397

Ämneskategorier

Teoretisk kemi

Den kondenserade materiens fysik

ISBN

0-306-46419-5

Mer information

Skapat

2017-10-07