Vibronic pairwise charge transfer in copper-oxide sheets: A possible approach to high temperature superconductivity theory |
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Authors: | Ying-Nan Chiu Samuel H. Brown Neal Sondergaard Frederick E. Wang |
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Affiliation: | (1) Center for Molecular Dynamics and Energy Transfer, Department of Chemistry, The Catholic University of America, 20064 Washington, DC, USA;(2) Naval Surface Warfare Center, Carderock Division, 21402 Annapolis, MD, USA;(3) Innovative Technology International Inc., 10747-3 Tucker Street, 20705 Beltsville, MD, USA |
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Abstract: | Summary To accommodate the number of holes and fractional number of atoms in doped highTc superconductors, and to produce a periodic structure with given symmetry, we postulate a quadruple cell with four copper atoms on the CuO2 layer. The quadruple cell structure hasD2h symmetry which can be distorted toC2h geometry underB1g vibration. Such a structure allows the interconversion of different spin angular momenta into paired spins similar to Cooper pairs. It also provides vibronic interactions that lower the energy of the ground state. For electron (hole) pairing, we construct the running wave Bloch sums consisting of linear combination of bonding/antibonding geminals (instead of one-electron 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 (alternating) bonds. In both cases the pair-wise charge (hole/electron) transfer is coupled with antisymmetric vibrations under a double-well potential related to Peierls distortion. The vibronic mixing of different running bonds with different antisymmetric vibrations at various distances, accounts for the different long-range order of charge transfer. Our formulations represent an alternative view of BCS theory, Bisoliton theory and Resonanting Valence Bond theory by using a quantum chemical, position-space approach to a more tight binding situation. |
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Keywords: | HighTc superconductivity Molecular geminals Charge transfer Vibronic interaction Renner-Teller effect Jahn-Teller effect Herzberg-Teller expansion |
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