Zhang Kai, Chen Minglong, Wang Dayong, Lv Haifeng, Wu Xiaojun, Yang Jinlong
School of Chemistry and Materials Sciences, CAS Key Laboratory of Materials for Energy Conversion, Synergetic Innovation of Quantum Information & Quantum Technology, and CAS Center for Excellence in Nanoscience, University of Science and Technology of China, Hefei, Anhui 230026, China.
Hefei National Laboratory of Physical Sciences at the Microscale, University of Science and Technology of China, Hefei, Anhui 230026, China.
Nanoscale. 2021 Dec 2;13(46):19493-19499. doi: 10.1039/d1nr06033c.
Two-dimensional (2D) materials with fully spin-polarized nodal-loop band crossing are a class of topological magnetic materials, holding promise for high-speed low-dissipation spintronic devices. Recently, several 2D nodal-loop materials have been reported in theory and experiment, such as CuSi, BeC, CuSe, and CrS monolayers, adopting triangular, tetragonal, hexagonal, or complex lattices. However, a 2D nodal-loop half metal with room-temperature magnetism is still less reported. Here, we report that the 2D FeN pentagon crystal is a nodal-loop half metal with room-temperature magnetism over 428 K and a global minimum structure first-principles calculations and global structure search. The Dirac nodal lines in FeN form a flat nodal loop at the Fermi level and a spin-polarized type-II nodal-loop above the Fermi level, which are protected by mirror symmetry. Our results establish FeN as a platform to obtain nodal-loop half metallicity in the 2D pentagon lattice and provide opportunities to build high-speed low-dissipation spintronics in the nanoscale.
具有完全自旋极化节点环带交叉的二维（2D）材料是一类拓扑磁性材料，有望用于高速低耗散自旋电子器件。最近，理论和实验报道了几种二维节点环材料，如CuSi、BeC、CuSe和CrS单层，它们采用三角形、四方、六角或复杂晶格。然而，具有室温磁性的二维节点环半金属仍然报道较少。在此，我们报告二维FeN五角晶体是一种节点环半金属，在428 K以上具有室温磁性，并且通过第一性原理计算和全局结构搜索得到了全局最小结构。FeN中的狄拉克节点线在费米能级处形成一个平坦的节点环，在费米能级以上形成一个自旋极化的II型节点环，它们由镜面对称性保护。我们的结果确立了FeN作为在二维五角晶格中获得节点环半金属性的平台，并为在纳米尺度上构建高速低耗散自旋电子学提供了机会。
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