Material Optimization of Potential High-$T_{\text{c}}$ Superconducting Single-layer Cuprates

TL;DR

This study uses advanced computational methods to analyze single-layer cuprates and identifies potential new high-temperature superconductors with higher critical temperatures than known materials.

Contribution

It introduces a comprehensive computational approach combining Wannierization, RPA, and fluctuation-exchange approximation to predict high-$T_c$ superconductivity in novel cuprates.

Findings

Ga, Al, and Cd compounds show potential for higher $T_c$ than Hg1201.

Comparison reveals previously unknown high-$T_c$ candidates.

Material parameters suggest promising new superconducting materials.

Abstract

We investigated the material parameters of several single-layer cuprates, including those with fluorinated buffer layers, with the aim of identifying possible high-temperature superconductors. To evaluate the material parameters, we use the Wannierization techniques and the constrained random phase approximation. The obtained single-band Hubbard models are studied using the fluctuation-exchange approximation. Comparison among several cuprates reveals unknown high-$T_{\text{c}}$ superconductors. In, Ga, Al, and Cd compounds in particular show the potential to exhibit higher-$T_{\text{c}}$ superconductivity than Hg1201.