Modulation of pairing interaction in Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ by an O dopant: a density functional theory study

TL;DR

This study uses density functional theory to analyze how oxygen dopants modify the electronic structure and pairing interactions in Bi$_2$Sr$_2$CaCu$_2$O$_{8+eta}$, revealing enhanced local pairing near dopants.

Contribution

It introduces a DFT-based approach to quantify doping effects on electronic structure and pairing interactions in a high-temperature superconductor.

Findings

O dopants increase local spectral gap.

Doping-modulated tight-binding parameters enhance pairing eigenvalues.

Local pairing is strengthened around oxygen dopants.

Abstract

Scanning tunneling spectroscopy measurements on the high temperature superconductor Bi$_2$Sr$_2$CaCu$_2$O$_{8+\delta}$ have reported an enhanced spectral gap in the neighborhood of O dopant atoms. We calculate, within density functional theory (DFT), the change in electronic structure due to such a dopant. We then construct and discuss the validity of several tight binding (TB) fits to the DFT bands with and without an O dopant. With the doping-modulated TB parameters, we finally evaluate the spin susceptibility and pairing interaction within spin fluctuation theory. The d-wave pairing eigenvalues are enhanced above the pure system without O dopant, supporting the picture of enhanced local pairing around such a defect.