A Systematic Study of Electron-Phonon Coupling to Oxygen Modes Across the Cuprates

Abstract

The large variations of T${}_c$ across the cuprate families is one of the major unsolved puzzles in condensed matter physics, and is poorly understood. Although there appears to be a great deal of universality in the cuprates, several orders of magnitude changes in T${}_c$ can be achieved through changes in the chemical composition and structure of the unit cell. In this paper we formulate a systematic examination of the variations in electron-phonon coupling to oxygen phonons in the cuprates, incorporating a number of effects arising from several aspects of chemical composition and doping across cuprate families. It is argued that the electron-phonon coupling is a very sensitive probe of the material-dependent variations of chemical structure, affecting the orbital character of the band crossing the Fermi level, the strength of local electric fields arising from structural-induced symmetry breaking, doping dependent changes in the underlying band structure, and ionicity of the crystal governing the ability of the material to screen $c$-axis perturbations. Using electrostatic Ewald calculations and known experimental structural data, we establish a connection between the material's maximal T${}_c$ at optimal doping and the strength of coupling to $c$-axis modes. We demonstrate that materials with the largest coupling to the out-of-phase bond-buckling (``$B_{1g}$") oxygen phonon branch also have the largest T${}_c$'s. In light of this observation we present model T${}_c$ calculations using a two-well model where phonons work in conjunction with a dominant pairing interaction, presumably due to spin fluctuations, indicating how phonons can generate sizeable enhancements to T${}_c$ despite the relatively small coupling strengths. Combined, these results can provide a natural framework for understanding the doping and material dependence of T${}_c$ across the cuprates.

29 Pages, 21 Figures, Submitted to PRB

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