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Abstract
A theoretical analysis of the consequences of the experimentally measured double-well oscillation of the apical oxygen in YBa 2 Cu 3 O 7 is made. The electronic structure was calculated in the frozen phonon approximation with different apical oxygen positions of a cell consisting 4-unit cells. Chemical bond changes are related to chain-planes electronic interactions and with valence fluctuations of the Cu(1) atoms of the chains. A vibronic mechanism is substantiated as a candidate for strong phonon-electron interaction. The coupling of the ionic motions with electronic structure, in turn, explains valence fluctuation, bipolaron and magnetic-like phenomena in these type of compounds.
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