The role of spin-orbit coupling in the electronic structure of IrO$_2$

TL;DR

This study combines advanced spectroscopy and first-principles calculations to elucidate how spin-orbit coupling influences the electronic structure of IrO$_2$, revealing phenomena relevant to spin Hall effects.

Contribution

It provides a detailed experimental and theoretical analysis of IrO$_2$'s electronic structure, emphasizing the role of spin-orbit coupling without requiring correlation effects.

Findings

Excellent agreement between theory and experiment.

Identification of a spin-orbit induced avoided crossing.

Surface effects influence the electronic structure.

Abstract

The delicate interplay of electronic charge, spin, and orbital degrees of freedom is in the heart of many novel phenomena across the transition metal oxide family. Here, by combining high- resolution angle resolved photoemission spectroscopy and first principles calculations (with and without spin-orbit coupling), the electronic structure of the rutile binary iridate, IrO$_2$ is investigated. The detailed study of electronic bands measured on a high-quality single crystalline sample, and use of a wide range of photon energy provide a huge improvement over the previous studies. The excellent agreement between theory and experimental results shows that the single-particle DFT description of IrO$_2$ band structure is adequate, without the need of invoking any treatment of correlation effects. Although many observed features point to a 3D nature of the electronic structure, clear surface effects are revealed. The discussion of the orbital character of the relevant bands crossing the Fermi level sheds light on spin orbit coupling-driven phenomena in this material, unveiling a spin-orbit induced avoided crossing, a property likely to play key role in its large spin Hall effect.