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arXiv 2501.07412cond-mat.mtrl-scicond-mat.str-el
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具有畸变kagome晶格的关联稳定铁磁MnRuAs

Correlation stabilized ferromagnetic MnRuAs with distorted kagome lattice

Anusree C, Andrzej Ptok, Paweł Sobieszczyk, G. Vaitheeswaran, V. Kanchana

AI总结:

本研究通过ab initio计算结合DFT+U方法,揭示了具有畸变kagome晶格的MnRuAs的结构、磁性与电子性质,证实强关联效应可将其动力学不稳定性转化为沿c轴耦合的稳健铁磁态,并发现其准一维费米面、节球等特性,为该材料复杂物理研究提供参考。

摘要:

我们对MnRuAs进行了深入分析,该化合物以P$\bar{6}$2m对称性结晶,具有畸变kagome晶格,通过先进的ab initio计算揭示了其独特的结构、磁性和电子性质。通过使用DFT+U方法纳入强关联效应,我们证明了MnRuAs的稳定性,将其固有的动力学不稳定性转变为沿$c$轴具有显著耦合的稳健铁磁态。计算得到的磁振子色散呈现出在$Γ$点处具有最小值的抛物线型分布,表明其具有铁磁行为。此外,MnRuAs展现出引人关注的电子性质,包括准一维费米面和节球的形成。我们的研究还深入探讨了电子表面态和等能面,为理解该材料的复杂物理机制提供了宝贵见解。

英文摘要:

We present an in-depth analysis of MnRuAs, a compound crystallizing in the P$\bar{6}$2m symmetry with a distorted kagome lattice, revealing its distinctive structural, magnetic, and electronic properties through state-of-the-art ab initio calculations. By incorporating strong correlation effects using the DFT+U approach, we demonstrate the stabilization of MnRuAs, transforming its inherent dynamical instability into a robust ferromagnetic state with significant coupling along the $c$ axis. The calculated magnon dispersion reveals a parabolic profile with a minimum at the $Γ$ point, indicative of ferromagnetic behavior. Furthermore, MnRuAs exhibits intriguing electronic properties, including quasi-one-dimensional Fermi surface and the formation of nodal sphere. Our study also delves into the electronic surface states and constant energy contours, offering valuable insights into the complex physics of this material.

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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