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arXiv 2407.08077cond-mat.mtrl-scicond-mat.mes-hallcond-mat.str-el
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基于密度泛函计算预测外尔亚铁磁体Cs$_{2}$Co$_{3}$S$_4$的大反常霍尔电导率

Large anomalous Hall conductivity in Weyl ferrimagnet Cs$_{2}$Co$_{3}$S$_4$ predicted by density-functional calculations

Gang Bahadur Acharya, Manuel Richter, Klaus Koepernik, Madhav Prasad Ghimire

AI总结:

本研究通过密度泛函理论计算,发现早年合成的Cs$_{2}$Co$_{3}$S$_4$为亚铁磁半金属,存在低能外尔点且本征反常霍尔电导率可达500 $Ω^{-1}$cm$^{-1}$,为拓扑外尔半金属研究提供了新候选材料。

摘要:

拓扑外尔半金属的识别近年来受到了广泛关注。本文报道了通过密度泛函理论计算得到的标题化合物的磁学性质、电子结构以及本征反常霍尔电导率结果,该化合物早在50年前就已被合成,但迄今为止几乎未受到关注。我们发现Cs$_{2}$Co$_{3}$S$_4$是一种亚铁磁半金属,每个分子式单元的总自旋磁矩约为3 $μ_B$。其多数自旋通道的能带隙为0.36 eV,少数自旋通道的费米能级处存在赝能隙。我们识别出了多组低能外尔点,并追踪了它们随磁化方向的变化关系。预测其本征反常霍尔电导率的数值最高可达500 $Ω^{-1}$cm$^{-1}$,与其他知名外尔半金属中得到的数值相当。

英文摘要:

The identification of topological Weyl semimetals has recently gained considerable attention. Here, we report the results of density-functional theory calculations regarding the magnetic properties, the electronic structure, and the intrinsic anomalous Hall conductivity of the title compound, which was synthesized already 50 years ago but received little attention, hitherto. We found Cs$_{2}$Co$_{3}$S$_4$ to be a ferrimagnetic half-metal with a total spin magnetic moment of about 3 $μ_B$ per formula unit. It shows energy band gap of 0.36 eV in the majority-spin channel and a pseudo-gap at the Fermi level in the minority-spin channel. We identified several sets of low-energy Weyl points and traced their dependence on the direction of magnetization. The intrinsic anomalous Hall conductivity is predicted to reach a magnitude up to 500 $Ω^{-1}$cm$^{-1}$, which is comparable to values obtained in other celebrated Weyl semimetals.

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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