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
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.