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arXiv 1402.2654cond-mat.str-el
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超蜂窝晶格上强自旋轨道耦合的拓扑相和磁相

Topological and magnetic phases with strong spin-orbit coupling on the hyperhoneycomb lattice

Eric Kin-Ho Lee, Subhro Bhattacharjee, Kyusung Hwang, Heung-Sik Kim, Hosub Jin, Yong Baek Kim

摘要:

本文研究了铱基化合物在超蜂窝晶格上的关联电子相图。超蜂窝晶格是最近在$β$ -Li ${}_{2}$ IrO ${}_{3}$化合物中实现的一种晶体结构,其中IrPDMATHABMM离子形成具有三重配位的三维网络。使用微观推导、对称性分析和密度泛函计算的组合,我们确定了占据Ir $^{4+}$位点上$j_{\text{eff}}=1/2$轨道的电子的一般模型。在非相互作用的限制,我们发现,这个模型允许拓扑和平凡的电子带绝缘体以及金属状态。Hubbard型电子-电子排斥对上述电子结构在稳定$\mathbf{q}=\mathbf{0}$磁序中的作用揭示了拓扑带绝缘体和Neel有序磁绝缘体之间连续相变的相图。

英文摘要:

We study the general phase diagram of correlated electrons for iridium-based (Ir) compounds on the hyperhoneycomb lattice---a crystal structure where the Ir$^{4+}$ ions form a three-dimensional network with three-fold coordination recently realized in the $β$-Li${}_{2}$IrO${}_{3}$ compound. Using a combination of microscopic derivations, symmetry analysis, and density functional calculations, we determine the general model for the electrons occupying the $j_{\text{eff}}=1/2$ orbitals at the Ir$^{4+}$ sites. In the non-interacting limit, we find that this model allows for both topological and trivial electronic band insulators along with metallic states. The effect of Hubbard-type electron-electron repulsion on the above electronic structure in stabilizing $\mathbf{q}=\mathbf{0}$ magnetic order reveals a phase diagram with continuous phase transition between a topological band insulator and a Neel ordered magnetic insulator.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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