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

TL;DR

This study systematically examines how electron-phonon coupling to oxygen modes varies across cuprate superconductors and its correlation with maximum T$_c$, highlighting the role of material-specific structural and electronic factors.

Contribution

It introduces a comprehensive analysis linking electron-phonon coupling variations to structural and electronic differences in cuprates, explaining T$_c$ diversity.

Findings

Strong correlation between coupling to $B_{1g}$ oxygen phonons and maximum T$_c$

Material-dependent structural effects influence electron-phonon interactions

Phonons can enhance T$_c$ alongside spin fluctuation pairing mechanisms

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.