Electronic structure of non-centrosymmetric superconductors Re24(Nb;Ti)5 by ab initio calculations

TL;DR

This study uses ab initio calculations to analyze the electronic structures of non-centrosymmetric superconductors Re24Nb5 and Re24Ti5, focusing on spin-orbit effects and their impact on superconducting properties.

Contribution

It provides detailed electronic structure analysis of Re24Nb5 and Re24Ti5, highlighting the influence of antisymmetric spin-orbit coupling and discrepancies in density of states.

Findings

Re24Ti5 has an abnormally low density of states at the Fermi level.

Discrepancies suggest an intermediate coupled superconducting state in Re24Ti5.

Differences in electronic properties may explain more robust superconductivity in Re24Nb5.

Abstract

Electronic structures of superconducting Re24Nb5 and Re24Ti5 have been calculated employing the full-potential local-orbital method within the density functional theory. The investigations were focused on the influence of the antisymmetric spin-orbit coupling on band structures and Fermi surfaces of these non-centrosymmetric systems. The predicted here density of states at the Fermi level for Re24Ti5 is abnormally low with respect to that deduced from previous heat capacity measurements. This discrepancy suggests an intermediate coupled superconducting state in Re24Ti5. The differences between electronic properties of both compounds could explain more robust superconductivity in the Nb-based material.