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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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

机译：蜂窝晶格中之字形自旋链结构的直接证据：单晶Na_2IrO_3的中子和x射线衍射研究

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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 Ir~(4+) 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 Neel 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.

机译：我们结合了单晶中子和X射线衍射来研究蜂窝晶格Na_2IrO_3的磁性和晶体结构。该系统在18.1（2）K以下与Ir〜（4+）离子磁性定序，在层状蜂窝网络中形成Z字形自旋链，其有序矩为0.22（1）/μB/ Ir位置。这种配置与Kitaev-Heisenberg模型中提出的Neel或条纹状态形成鲜明对比。结构细化表明，Ir原子形成了近乎理想的二维蜂窝晶格，而IrO_6八面体则经历了对基态至关重要的三角畸变。这项研究的结果为磁性和晶体结构提供了急需的实验见解，这对于理解基于5d电子的蜂窝晶格中的奇异磁阶和可能的拓扑特性至关重要。

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来源
《Physical review》 |2012年第18期|p.180403.1-180403.4|共4页
作者
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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Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

Quantum Condensed Matter Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA,Department of Physics and Astronomy, University of Tennessee, Knoxville, Tennessee 37996, USA;

Chemical Science Division, Oak Ridge National Laboratory, Oak Ridge, Tennessee 37831, USA;

Center for Advanced Materials, Department of Physics and Astronomy, University of Kentucky, Lexington, Kentucky 40506, USA;

Center for Advanced Materials, Department of Physics and Astronomy, University of Kentucky, Lexington, Kentucky 40506, USA;

Center for Advanced Materials, Department of Physics and Astronomy, University of Kentucky, Lexington, Kentucky 40506, USA;

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spin-orbit coupling, zeeman and stark splitting, jahn-teller effect;

机译：自旋轨道耦合;塞曼和斯塔克分裂;詹-泰勒效应;

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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

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