VIBRONIC PAIRWISE CHARGE-TRANSFER IN COPPER-OXIDE SHEETS - A POSSIBLEAPPROACH TO HIGH-TEMPERATURE SUPERCONDUCTIVITY THEORY

Citation
Yn. Chiu et al., VIBRONIC PAIRWISE CHARGE-TRANSFER IN COPPER-OXIDE SHEETS - A POSSIBLEAPPROACH TO HIGH-TEMPERATURE SUPERCONDUCTIVITY THEORY, Theoretica Chimica Acta, 90(4), 1995, pp. 205-224
Citations number
57
Categorie Soggetti
Chemistry Physical
Journal title
ISSN journal
00405744
Volume
90
Issue
4
Year of publication
1995
Pages
205 - 224
Database
ISI
SICI code
0040-5744(1995)90:4<205:VPCICS>2.0.ZU;2-Z
Abstract
To accommodate the number of holes and fractional number of atoms in d oped high T-c superconductors, and to produce a periodic structure wit h given symmetry, we postulate a quadruple cell with four copper atoms on the CuO2 layer. The quadruple cell structure has D-2h symmetry whi ch can be distorted to C-2h geometry under B-1g vibration. Such a stru cture allows the interconversion of different spin angular momenta int o paired spins similar to Cooper pairs. It also provides vibronic inte ractions that lower the energy of the ground state. For electron (hole ) pairing, we construct the running wave Bloch sums consisting of line ar combination of bonding/antibonding geminals (instead of one-electro n atomic orbitals) in these quadruple cells. For ''bond'' movement we construct the Bloch sums consisting of linear combination of ''Covalon '' waves in quadruple cells related to the movement of conjugate (alte rnating) bonds. In both cases the pair-wise charge (hole/electron) tra nsfer is coupled with antisymmetric vibrations under a double-well pot ential related to Peierls distortion. The vibronic mixing of different running bonds with different antisymmetric vibrations at various dist ances, accounts for the different long-range order of charge transfer. Our formulations represent an alternative view of BCS theory, Bisolit on theory and Resonanting Valence Bond theory by using a quantum chemi cal, position-space approach to a more tight binding situation.