Direct evidence of a zigzag spin-chain structure in the honeycomb lattice: A neutron and x-ray diffraction investigation of single-crystal Na 2IrO 3

Feng Ye, Songxue Chi, Huibo Cao, Bryan C. Chakoumakos, Jaime A. Fernandez-Baca, Radu Custelcean, T. F. Qi, O. B. Korneta, G. Cao

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Abstract

We have combined single-crystal neutron and x-ray diffractions to investigate the magnetic and crystal structures of the honeycomb lattice Na 2IrO 3. The system orders magnetically below 18.1(2) K with Ir4 + ions forming zigzag spin chains within the layered honeycomb network with an ordered moment of 0.22(1)μ B/Ir site. Such a configuration sharply contrasts with the Néel or stripe states proposed in the Kitaev-Heisenberg model. The structure refinement reveals that the Ir atoms form a nearly ideal two-dimensional honeycomb lattice while the IrO 6 octahedra experience a trigonal distortion that is critical to the ground state. The results of this study provide much needed experimental insights into the magnetic and crystal structure that are crucial to the understanding of the exotic magnetic order and possible topological characteristics in the 5d-electron-based honeycomb lattice.

Original languageEnglish
Article number180403
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume85
Issue number18
DOIs
StatePublished - May 8 2012

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