PhysRevX.4.021051.pdf (1001.45 kB)

Mechanism of basal-plane antiferromagnetism in the spin-orbit driven iridate Ba2IrO4

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posted on 08.08.2018 by Vamshi M. Katukuri, Viktor Yushankhai, Liudmila Siurakshina, Jeroen van den Brink, Liviu Hozoi, Ioannis Rousochatzakis
By ab initio many-body quantum chemistry calculations, we determine the strength of the symmetric anisotropy in the 5d5j ≈ 1/2 layered material Ba2IrO4. While the calculated anisotropic couplings come out in the range of a few meV, orders of magnitude stronger than in analogous 3d transition-metal compounds, the Heisenberg superexchange still defines the largest energy scale. The ab initio results reveal that individual layers of Ba2IrO4provide a close realization of the quantum spin-1/2 Heisenberg-compass model on the square lattice. We show that the experimentally observed basal-plane antiferromagnetism can be accounted for by including additional interlayer interactions and the associated order-by-disorder quantum-mechanical effects, in analogy to undoped layered cuprates.

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  • Science

Department

  • Physics

Published in

Physical Review X

Volume

4

Issue

2

Citation

KATUKURI, V.M. ... et al, 2014. Mechanism of basal-plane antiferromagnetism in the spin-orbit driven iridate Ba2IrO4. Physical Review X, 4 (2), 021051.

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American Physical Society

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This work is made available according to the conditions of the Creative Commons Attribution 3.0 Unported (CC BY 3.0) licence. Full details of this licence are available at: http://creativecommons.org/licenses/by/3.0/

Publication date

2014

Notes

This article is available under the terms of the Creative Commons Attribution 3.0 License. Further distribution of this work must maintain attribution to the author(s) and the published article’s title, journal citation, and DOI. Full details of this licence are available at: https://creativecommons.org/licenses/by/3.0/.

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2160-3308

Language

en

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