Mechanism of basal-plane antiferromagnetism in the spin-orbit driven iridate Ba2Iro4

Vamshi M. Katukuri, Viktor Yushankhai, Liudmila Siurakshina, Jeroen Van Den Brink, Liviu Hozoi, Ioannis Rousochatzakis

Research output: Contribution to journalArticlepeer-review

43 Scopus citations


By ab initio many-body quantum chemistry calculations, we determine the strength of the symmetric anisotropy in the 5d5 j ≈ 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 Ba2IrO4 provide 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.

Original languageEnglish (US)
Article number021051
JournalPhysical Review X
Issue number2
StatePublished - 2014


  • Condensed matter physics
  • Magnetism
  • Strongly correlated materials


Dive into the research topics of 'Mechanism of basal-plane antiferromagnetism in the spin-orbit driven iridate Ba2Iro4'. Together they form a unique fingerprint.

Cite this