Characterization of Spin-Orbit Effects in Superconductors In$_5$Bi$_3$ and In$_5$Sb$_3$

TL;DR

This study uses first-principles calculations to analyze how spin-orbit coupling affects the electronic structure and superconductivity in In$_{5}$Bi$_{3}$ and In$_{5}$Sb$_{3}$, revealing its critical role in stability and critical temperature.

Contribution

It provides the first detailed computational analysis of spin-orbit effects on superconductivity in these compounds, highlighting their importance for stability and critical temperature predictions.

Findings

Spin-orbit coupling causes band splitting near the Fermi level.

It is essential for the dynamical stability of In$_{5}$Bi$_{3}$.

Spin-orbit coupling reduces the superconducting critical temperature in In$_{5}$Sb$_{3}$.

Abstract

We report a first principles computational analysis of two phonon-mediated superconductors, In$_{5}$Bi$_{3}$ and In$_{5}$Sb$_{3}$. We show that spin-orbit coupling leads to splitting of electron bands around the Fermi energy, resulting in a suppression of the electronic density of states in both compounds. In In$_{5}$Bi$_{3}$, the spin-orbit coupling is essential for the dynamical stability of the experimentally observed phase, and the calculated superconducting critical temperature is in close agreement with measurements. In In$_{5}$Sb$_{3}$, the spin-orbit coupling significantly reduces the calculated superconducting critical temperature compared to calculations neglecting relativistic effects. Our work emphasises the subtle interplay between spin-orbit interactions and phonon-mediated superconductivity.