Data from: Possible Origin of Preformed Hole Pairs and Superconductivity in Cuprates

Calculations associated with

Wang, S.; Ager, J. W.; Walukiewicz, W. Possible Origin of Preformed Hole Pairs and Superconductivity in Cuprates. arXiv 2202.03686

Abstract:

This paper addresses the long standing and controversial issue of the origin in superconducting cuprates. It is shown that the superconductivity can be attributed to amphoteric defects associated with vacancy sites in copper oxide planes. A local defect lattice relaxation results in a negative U energy binding two holes on amphoteric defects in the donor configuration that act as preformed boson pair. Thermodynamic equilibrium between defects in the donor and acceptor configurations stabilizes Fermi energy at the amphoteric defect charge transition state assuring resonant coupling between free holes and the localized hole pairs. Model calculations provide explanation for most important superconducting properties of cuprates. They show that the critical temperature is primarily determined by the density of the amphoteric defects in the donor configuration. This explains ubiquity of dome-like dependence of the critical temperature on the doping as well as its universal dependence on the superfluid density. Intentional doping with chemical acceptors or donors is neither necessary nor sufficient condition for superconductivity that is fully determined by the amphoteric defects whose concentration can be controlled by crystal nonstoichiometry. The only role of chemical doping
is changing the balance between concentrations of amphoteric defects in the donor and acceptor configurations resulting in an increase of the superfluid density and thus also the critical temperature for acceptor and a decrease for donor doping. This accounts for the experimentally observed distinct asymmetry between the dome structures for the chemical doping with acceptors
and donors. The unusual sensitivity of the critical temperature to external perturbations is explained by the resonant nature of the coupling between free holes and preformed hole pairs. The work has broader implications as it could be applicable to other superconductors with dome-like dependence of the critical temperature on doping.