• Branford, William R.
• Huang, Ying-Sheng
• Mcguinness, Cormac
• Scanlon, David O.
• Kahk, Juhan M.
• Vobornik, Ivana
• Sante, Domenico Di
• Picozzi, Silvia
• Sławińska, Jagoda
• Plekhanov, Evgeny
• Das, Pranab Kumar
• Chen, Ruei-San
• Payne, David J.
• Fujii, Jun
• Panaccione, Giancarlo
• Morgan, Benjamin J.
• Regoutz, Anna
• Rossi, Giorgio

Abstract

<p>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, IrO2, 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 IrO2 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 a key role in its large spin Hall effect.</p>

Topics

• impedance spectroscopy
• surface
• theory
• density functional theory
• band structure