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TMB(TM = Cr,Fe)单层:一种新型的室温反铁磁拓扑节线半金属。

TMB (TM = Cr, Fe) monolayers: a new type of room temperature antiferromagnetic topological nodal line semimetal.

作者信息

Yan Chenqian, Mao Yuqing, Li Jie, Wang Zijin, He Ailei, Duan Yuanyuan, Zhang Xiuyun

机构信息

College of Physics Science and Technology, Yangzhou University, Yangzhou 225002, China.

出版信息

Nanoscale Horiz. 2025 Jun 23;10(7):1398-1404. doi: 10.1039/d5nh00224a.

Abstract

Two-dimensional materials that combine magnetism and topology offer unique advantages in the fields of spintronics and quantum computing. However, the design of two-dimensional (2D) materials simultaneously integrating both properties remains a significant challenge. Through systematic first-principles calculations, we predict two highly stable two-dimensional transition metal borides (TMBs). Our results reveal that both structures are antiferromagnetic (AFM) Dirac nodal line semimetals (NLSMs) with multiple band crossings near the Fermi level. Under biaxial strain, FeB can be transformed into a ferromagnetic state under 2% tensile strain, which is further verified to possess Weyl nodal loops (Weyl NLs). This discovery provides novel insights for the regulation of magnetic topological materials and holds promising potential for applications in low-power-consumption spintronic devices.

摘要

结合磁性和拓扑结构的二维材料在自旋电子学和量子计算领域具有独特优势。然而,同时整合这两种特性的二维(2D)材料设计仍然是一项重大挑战。通过系统的第一性原理计算,我们预测了两种高度稳定的二维过渡金属硼化物(TMBs)。我们的结果表明,这两种结构都是反铁磁(AFM)狄拉克节线半金属(NLSMs),在费米能级附近有多个能带交叉。在双轴应变下,FeB在2%的拉伸应变下可转变为铁磁态,进一步验证其具有外尔节线环(Weyl NLs)。这一发现为磁性拓扑材料的调控提供了新的见解,并在低功耗自旋电子器件应用中具有广阔的潜在应用前景。

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