Possible high-temperature superconductors predicted from electronic structure and data-filtering algorithms

TL;DR

This study uses electronic structure analysis and data-filtering algorithms to identify over a hundred layered inorganic compounds as potential high-temperature superconductors, expanding the scope beyond known cuprates.

Contribution

It introduces a novel approach combining electronic structure comparison and data filtering to predict new high-temperature superconducting materials.

Findings

Identified over 100 layered compounds as potential superconductors.

Proposed specific new materials for experimental testing.

Demonstrated similarities in electronic structures between known cuprates and new candidates.

Abstract

We report here the completion of the electronic structure of the majority of the known stoichiometric inorganic compounds, as listed in the International Crystal Structure Data-base (ICSD). We make a detailed comparison of the electronic structure, crystal geometry and chemical bonding of cuprate high temperature superconductors, with the calculated over sixty thousand electronic structures. Based on compelling similarities of the electronic structures in the normal state and a data-filtering technique, we propose that high temperature superconductivity is possible for electron- or hole-doping in a much larger group of materials than previously considered. The indentified materials are composed of over one hundred layered compounds, most which hitherto are untested with respect to their super conducting properties. Of particular interest are the following materials; Ca$_2$(CuBr$_2$O$_2$), K$_2$CoF$_4$, Sr$_2$(MoO$_4$) and Sr$_4$V$_3$O$_{10}$, which are discussed in detail.