PhysRevX.4.021051.pdf (1001.45 kB)
Mechanism of basal-plane antiferromagnetism in the spin-orbit driven iridate Ba2IrO4
journal contribution
posted on 2018-08-08, 15:34 authored by Vamshi M. Katukuri, Viktor Yushankhai, Liudmila Siurakshina, Jeroen van den Brink, Liviu Hozoi, Ioannis RousochatzakisIoannis RousochatzakisBy 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.
History
School
- Science
Department
- Physics
Published in
Physical Review XVolume
4Issue
2Citation
KATUKURI, V.M. ... et al, 2014. Mechanism of basal-plane antiferromagnetism in the spin-orbit driven iridate Ba2IrO4. Physical Review X, 4 (2), 021051.Publisher
American Physical SocietyVersion
- VoR (Version of Record)
Publisher statement
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
2014Notes
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/.eISSN
2160-3308Publisher version
Language
- en