Role of Spin-Orbit Coupling in the Electronic Structure of IrO2

P. K. Das, J. Sławińska, I. Vorbornik, J. Fujii, Anna Regoutz, J. M. Kahk, David O. Scanlon, Benjamin J. Morgan, C. McGuinness, E. Plekhanov, D. Di Sante, Y.-S. Huang, R.-S. Chen, G. Rossi, Silvia Picozzi, William R. Branford, G. Panaccione, D. J. Payne

Research output: Contribution to journalArticle

5 Citations (Scopus)
41 Downloads (Pure)

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, 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.

Original languageEnglish
Article number065001
Number of pages7
JournalPhysical Review Materials
Volume2
Issue number6
DOIs
Publication statusPublished - 4 Jun 2018

Fingerprint

electronic structure
orbits
Brillouin zones
Hall effect
critical point
sun
photoelectric emission
topology
electrical resistivity
oxides
high resolution
detectors
symmetry
spectroscopy

ASJC Scopus subject areas

  • Materials Science(all)
  • Physics and Astronomy (miscellaneous)

Cite this

Das, P. K., Sławińska, J., Vorbornik, I., Fujii, J., Regoutz, A., Kahk, J. M., ... Payne, D. J. (2018). Role of Spin-Orbit Coupling in the Electronic Structure of IrO2. Physical Review Materials, 2(6), [065001]. https://doi.org/10.1103/PhysRevMaterials.2.065001

Role of Spin-Orbit Coupling in the Electronic Structure of IrO2. / Das, P. K.; Sławińska, J.; Vorbornik, I.; Fujii, J.; Regoutz, Anna; Kahk, J. M.; Scanlon, David O.; Morgan, Benjamin J.; McGuinness, C.; Plekhanov, E.; Di Sante, D.; Huang, Y.-S.; Chen, R.-S.; Rossi, G.; Picozzi, Silvia; Branford, William R.; Panaccione, G.; Payne, D. J.

In: Physical Review Materials, Vol. 2, No. 6, 065001, 04.06.2018.

Research output: Contribution to journalArticle

Das, PK, Sławińska, J, Vorbornik, I, Fujii, J, Regoutz, A, Kahk, JM, Scanlon, DO, Morgan, BJ, McGuinness, C, Plekhanov, E, Di Sante, D, Huang, Y-S, Chen, R-S, Rossi, G, Picozzi, S, Branford, WR, Panaccione, G & Payne, DJ 2018, 'Role of Spin-Orbit Coupling in the Electronic Structure of IrO2', Physical Review Materials, vol. 2, no. 6, 065001. https://doi.org/10.1103/PhysRevMaterials.2.065001
Das PK, Sławińska J, Vorbornik I, Fujii J, Regoutz A, Kahk JM et al. Role of Spin-Orbit Coupling in the Electronic Structure of IrO2. Physical Review Materials. 2018 Jun 4;2(6). 065001. https://doi.org/10.1103/PhysRevMaterials.2.065001
Das, P. K. ; Sławińska, J. ; Vorbornik, I. ; Fujii, J. ; Regoutz, Anna ; Kahk, J. M. ; Scanlon, David O. ; Morgan, Benjamin J. ; McGuinness, C. ; Plekhanov, E. ; Di Sante, D. ; Huang, Y.-S. ; Chen, R.-S. ; Rossi, G. ; Picozzi, Silvia ; Branford, William R. ; Panaccione, G. ; Payne, D. J. / Role of Spin-Orbit Coupling in the Electronic Structure of IrO2. In: Physical Review Materials. 2018 ; Vol. 2, No. 6.
@article{650bbe8ef8b24c349107e6324972bb71,
title = "Role of Spin-Orbit Coupling in the Electronic Structure of IrO2",
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, 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.",
author = "Das, {P. K.} and J. Sławińska and I. Vorbornik and J. Fujii and Anna Regoutz and J. M. Kahk and Scanlon, {David O.} and Morgan, {Benjamin J.} and C. McGuinness and E. Plekhanov and {Di Sante}, D. and Y.-S. Huang and R.-S. Chen and G. Rossi and Silvia Picozzi and Branford, {William R.} and G. Panaccione and Payne, {D. J.}",
year = "2018",
month = "6",
day = "4",
doi = "10.1103/PhysRevMaterials.2.065001",
language = "English",
volume = "2",
journal = "Physical Review Materials",
issn = "2475-9953",
publisher = "American Physical Society",
number = "6",

}

TY - JOUR

T1 - Role of Spin-Orbit Coupling in the Electronic Structure of IrO2

AU - Das, P. K.

AU - Sławińska, J.

AU - Vorbornik, I.

AU - Fujii, J.

AU - Regoutz, Anna

AU - Kahk, J. M.

AU - Scanlon, David O.

AU - Morgan, Benjamin J.

AU - McGuinness, C.

AU - Plekhanov, E.

AU - Di Sante, D.

AU - Huang, Y.-S.

AU - Chen, R.-S.

AU - Rossi, G.

AU - Picozzi, Silvia

AU - Branford, William R.

AU - Panaccione, G.

AU - Payne, D. J.

PY - 2018/6/4

Y1 - 2018/6/4

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=85057747821&partnerID=8YFLogxK

U2 - 10.1103/PhysRevMaterials.2.065001

DO - 10.1103/PhysRevMaterials.2.065001

M3 - Article

VL - 2

JO - Physical Review Materials

JF - Physical Review Materials

SN - 2475-9953

IS - 6

M1 - 065001

ER -