半金属 In$_2$CoSe$_4$ 中的磁性拓扑韦尔费米子

Xiaosong Bai, Yan Wang, Wenwen Yang, Qiunan Xu, Wenjian Liu
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引用次数: 0

摘要

由于磁性韦尔半金属(WSM)具有实现强反常霍尔效应的潜力,因此最近引起了广泛关注。然而,如何设计这些系统仍不清楚。基于第一原理计算,我们在此证明铁磁性半金属化合物 In$_2$CoSe$_4$ 具有多对韦尔点,因此是磁性 WSM 的良好候选材料。这些韦尔点会随着哈伯德U$的增加而逐渐接近费米级,最后在临界值U_c$之后消失。能够实现磁性 WSM 状态的 Hubbard$U$ 的范围可以通过压力来扩大,这体现了本预言的实用性。此外,通过在Co-Se键处裂解化合物后在Co或In原子上产生两个表面端点,在表面态中发现了连接一对手性相反的Weyl点的非奇异费米弧。因此,目前的发现强烈暗示了一种新的磁性 WSM,它可能蕴藏着巨大的反常霍尔电导率。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Magnetic topological Weyl fermions in half-metallic In$_2$CoSe$_4$
Magnetic Weyl semimetals (WSM) have recently attracted much attention due to their potential in realizing strong anomalous Hall effects. Yet, how to design such systems remains unclear. Based on first-principles calculations, we show here that the ferromagnetic half-metallic compound In$_2$CoSe$_4$ has several pairs of Weyl points and is hence a good candidate for magnetic WSM. These Weyl points would approach the Fermi level gradually as the Hubbard $U$ increases, and finally disappear after a critical value $U_c$. The range of the Hubbard $U$ that can realize the magnetic WSM state can be expanded by pressure, manifesting the practical utility of the present prediction. Moreover, by generating two surface terminations at Co or In atom after cleaving the compound at the Co-Se bonds, the nontrivial Fermi arcs connecting one pair of Weyl points with opposite chirality are discovered in surface states. Furthermore, it is possible to observe the nontrivial surface state experimentally, e.g., angle-resolved photoemission spectroscopy (ARPES) measurements. As such, the present findings imply strongly a new magnetic WSM which may host a large anomalous Hall conductivity.
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