Abstract
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 TSG), 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.
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© 2002 Kluwer Academic Plenum Publishers
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Panas, I. (2002). Chemical Analysis of the Superconducting Cuprates by Means of Theory. In: Bianconi, A., Saini, N.L. (eds) Stripes and Related Phenomena. Selected Topics in Superconductivity, vol 8. Springer, Boston, MA. https://doi.org/10.1007/0-306-47100-0_49
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DOI: https://doi.org/10.1007/0-306-47100-0_49
Publisher Name: Springer, Boston, MA
Print ISBN: 978-0-306-46419-5
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