Magnetically Mediated Transparent Conductors: In$_2$O$_3$ doped with Mo

TL;DR

This study uses first-principles calculations to explore Mo-doped In₂O₃, revealing magnetic interactions that enhance electrical and optical properties, suggesting a new pathway for developing efficient transparent conductors.

Contribution

It demonstrates the beneficial effects of transition metal doping on In₂O₃'s electronic and optical properties, highlighting magnetic interactions as a key factor.

Findings

Mo doping reduces effective mass and improves optical transmission.

Magnetic interactions influence electrical conductivity and optical absorption.

Transition metal doping offers a promising route for advanced transparent conductors.

Abstract

First-principles band structure investigations of the electronic, optical and magnetic properties of Mo-doped In$_2$O$_3$ reveal the vital role of magnetic interactions in determining both the electrical conductivity and the Burstein-Moss shift which governs optical absorption. We demonstrate the advantages of the transition metal doping which results in smaller effective mass, larger fundamental band gap and better overall optical transmission in the visible -- as compared to commercial Sn-doped In$_2$O$_3$. Similar behavior is expected upon doping with other transition metals opening up an avenue for the family of efficient transparent conductors mediated by magnetic interactions.