Department of Physics, South China University of Technology, Guangzhou 510640, People's Republic of China.
Songshan Lake Materials Laboratory, Dongguan, Guangdong 523808, China.
J Phys Chem Lett. 2023 Apr 27;14(16):3913-3919. doi: 10.1021/acs.jpclett.3c00162. Epub 2023 Apr 19.
Magnetic topological materials have drawn markedly attention recently due to the strong coupling of their novel topological properties and magnetic configurations. In particular, the MnBiTe/(BiTe) family highlights the researches of multiple magnetic topological materials. Via first-principles calculations, we predict that Mn(Bi, Sb)Se, the close relatives of MnBiTe/(BiTe) family, are topological nontrivival in both antiferromagnetic and ferromagnetic configurations. In the antiferromagnetic ground state, Mn(Bi, Sb)Se are simultaneously topological insulators and axion insulators. Massless Dirac surface states emerge on the surfaces parallel to the axis. In ferromagnetic phases, they are axion insulators. Particularly, when the magnetization direction is along the axis, they are also topological crystalline insulators. Mirror-symmetry-protected gapless surface states exist on the mirror-invariant surfaces. Hence, the behaviors of surface states are strongly dependent on the magnetization directions and surface orientations. Our work provides more opportunities for the study of magnetic topological physics.
磁性拓扑材料由于其新颖的拓扑性质和磁构型的强烈耦合而引起了人们的广泛关注。特别是 MnBiTe/(BiTe) 族突出了多种磁性拓扑材料的研究。通过第一性原理计算，我们预测 Mn(Bi, Sb)Se，MnBiTe/(BiTe) 族的近亲，在反铁磁和铁磁构型中都是拓扑非平庸的。在反铁磁基态中，Mn(Bi, Sb)Se 既是拓扑绝缘体又是轴子绝缘体。无质量的狄拉克表面态出现在平行于[110]轴的表面上。在铁磁相中，它们是轴子绝缘体。特别地，当磁化方向沿[110]轴时，它们也是拓扑晶体绝缘体。在镜像不变的表面上存在镜面对称保护的无能隙表面态。因此，表面态的行为强烈依赖于磁化方向和表面取向。我们的工作为磁性拓扑物理的研究提供了更多的机会。
