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Orbital occupancies and the putative j(eff)=1/2 ground state in Ba2IrO4: A combined oxygen K-edge XAS and RIXS study

Sala, MM; Rossi, M; Boseggia, S; Akimitsu, J; Brookes, NB; Isobe, M; Minola, M; ... Monaco, G; + view all (2014) Orbital occupancies and the putative j(eff)=1/2 ground state in Ba2IrO4: A combined oxygen K-edge XAS and RIXS study. Physical Review B , 89 (12) , Article 121101. 10.1103/PhysRevB.89.121101. Green open access

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Abstract

The nature of the electronic ground state of Ba2IrO4 has been addressed using soft x-ray absorption and inelastic scattering techniques in the vicinity of the oxygen K edge. From the polarization and angular dependence of x-ray absorption spectroscopy (XAS) we deduce an approximately equal superposition of xy, yz, and zx Ir4+ 5d orbitals. By combining the measured orbital occupancies, with the value of the spin-orbit coupling provided by resonant inelastic x-ray scattering (RIXS), we estimate the crystal field splitting associated with the tetragonal distortion of the IrO6 octahedra to be small, Δ≈50(50) meV. We thus conclude definitively that Ba2IrO4 is a close realization of a spin-orbit Mott insulator with a jeff=1/2 ground state, thereby overcoming ambiguities in this assignment associated with the interpretation of x-ray resonant scattering experiments.

Type: Article
Title: Orbital occupancies and the putative j(eff)=1/2 ground state in Ba2IrO4: A combined oxygen K-edge XAS and RIXS study
Open access status: An open access version is available from UCL Discovery
DOI: 10.1103/PhysRevB.89.121101
Publisher version: http://dx.doi.org/10.1103/PhysRevB.89.121101
Language: English
Additional information: Copyright © 2014 American Physical Society.
UCL classification: UCL
UCL > Provost and Vice Provost Offices > UCL BEAMS
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences
UCL > Provost and Vice Provost Offices > UCL BEAMS > Faculty of Maths and Physical Sciences > London Centre for Nanotechnology
URI: https://discovery.ucl.ac.uk/id/eprint/1423525
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