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arXiv 2207.05045cond-mat.str-elcond-mat.mtrl-sci
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Sr $_4$ RhO $_6$中键依赖的高度各向异性磁相互作用的理论研究

Emergence of bond-dependent highly anisotropic magnetic interactions in Sr$_4$RhO$_6$: a theoretical study

Shishir Kumar Pandey, Qiangqiang Gu, Yihao Lin, Rajarshi Tiwari, Ji Feng

摘要:

量子自旋液体态作为Kitaev模型的自然基态,导致了对托管Kitaev物理的新材料候选者的探索。然而,这一类的物质候选人很少。结合$ab$ $initio$和模型哈密顿方法,我们提出Ruddlesden-Popper化合物Sr $_4$ RhO $_6$属于这一类。利用紧束缚模型和精确对角化方法,我们证明了尽管存在大量的类三角畸变,Sr $_4$ RhO $_6$的电子和磁性可以用赝自旋= 1/2态来描述.使用二阶微扰法估计的赝自旋之间的磁相互作用在性质上是高度依赖于键的各向异性的,具有两个特别值得注意的特征,反铁磁Kitaev和Dzyaloshinskiiii-Moriya相互作用。用线性自旋波理论计算得到的Sr $_4$ RhO $_6$的带隙自旋波谱与磁阻挫现象一致。对单个或特定磁相互作用组合作用的进一步分析表明,Sr $_4$ RhO $_6$的自旋波谱是高度各向异性相互作用的综合效应,在当前情况下,相对简单的极小模型可能不合理。在本研究中获得的关于Sr $_4$ RhO $_6$的局部结构特征和磁性之间的耦合的关键见解可能有助于未来属于这类的研究。

英文摘要:

The quantum spin liquid states as a natural ground state of the Kitaev model has led to a quest for new materials candidates hosting Kitaev physics. Yet, there are very few material candidates in this category. Using a combination of $ab$ $initio$ and model Hamiltonian methods, we propose that Ruddlesden-Popper compound Sr$_4$RhO$_6$ belongs to this category. With a tight-binding model and exact diagonalization approach, we show that despite substantial trigonal-like distortion, the electronic and magnetic properties of Sr$_4$RhO$_6$ can be well described in terms of pseudo-spin = 1/2 states. Magnetic interactions among pseudo-spins, estimated using the second-order perturbation method are highly bond-dependent anisotropic in nature with two particularly noticeable features, antiferromagnetic Kitaev and Dzyaloshinskii-Moriya interactions. The gaped spin-wave spectra of Sr$_4$RhO$_6$ obtained with linear spin-wave theory is consistent with the underlying magnetic frustration. Additional analysis of the role of individual or a particular combination of magnetic interactions reveals that the spin-wave spectra of Sr$_4$RhO$_6$ is a combined effect of the highly anisotropic interactions and a relatively simpler minimal model may not be plausible in the current case. The crucial insights about coupling between the local structural features and magnetic properties of Sr$_4$RhO$_6$ obtained in this study may be helpful for future studies belonging to this class.

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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