Centre for Advanced 2D Materials and Graphene Research Centre National University of Singapore, 6 Science Drive 2, Singapore 117546.
Department of Physics, National University of Singapore, 2 Science Drive 3, Singapore 117542.
Sci Rep. 2016 Dec 15;6:38839. doi: 10.1038/srep38839.
Topological semimetals (TSMs) including Weyl semimetals and nodal-line semimetals are expected to open the next frontier of condensed matter and materials science. Although the first inversion breaking Weyl semimetal was recently discovered in TaAs, its magnetic counterparts, i.e., the time-reversal breaking Weyl and nodal line semimetals, remain elusive. They are predicted to exhibit exotic properties distinct from the inversion breaking TSMs including TaAs. In this paper, we identify the magnetic topological semimetal states in the ferromagnetic half-metal compounds CoTiX (X = Si, Ge, or Sn) with Curie temperatures higher than 350 K. Our first-principles band structure calculations show that, in the absence of spin-orbit coupling, CoTiX features three topological nodal lines. The inclusion of spin-orbit coupling gives rise to Weyl nodes, whose momentum space locations can be controlled as a function of the magnetization direction. Our results not only open the door for the experimental realization of topological semimetal states in magnetic materials at room temperature, but also suggest potential applications such as unusual anomalous Hall effect in engineered monolayers of the CoTiX compounds at high temperature.
拓扑半金属(TSMs)包括外尔半金属和节线半金属,预计将开启凝聚态和材料科学的下一个前沿领域。尽管最近在 TaAs 中发现了第一个反转破坏外尔半金属,但它们的磁对应物,即时间反转破坏外尔和节线半金属,仍然难以捉摸。它们被预测具有与 TaAs 等反转破坏 TSM 不同的奇异性质。在本文中,我们确定了居里温度高于 350K 的铁磁半金属化合物 CoTiX(X=Si、Ge 或 Sn)中的磁性拓扑半金属态。我们的第一性原理能带结构计算表明,在没有自旋轨道耦合的情况下,CoTiX 具有三个拓扑节线。自旋轨道耦合的加入产生了 Weyl 节点,其动量空间位置可以作为磁化方向的函数来控制。我们的结果不仅为在室温下实现磁性材料中的拓扑半金属态开辟了道路,而且还为高温下 CoTiX 化合物的工程单层中的异常反常 Hall 效应等潜在应用提供了可能性。