Topological Magnetic Materials of the (MnSb2Te4)•(Sb2Te3)n van der Waals Compounds Family

Using density functional theory, we propose the (MnSb2Te4)center dot(Sb2Te3)(n) family of stoichiometric van der Waals compounds that harbor multiple topologically nontrivial magnetic phases. In the ground state, the first three members of the family (n = 0, 1, 2) are 3D antiferromagnetic topological insulators, while for n >= 3 a special phase is formed, in which a nontrivial topological order coexists with a partial magnetic disorder in the system of the decoupled 2D ferromagnets, whose magnetizations point randomly along the third direction. Furthermore, due to a weak interlayer exchange coupling, these materials can be field-driven into the FM Weyl semimetal (n = 0) or FM axion insulator states (n >= 1). Finally, in two dimensions, we reveal these systems to show intrinsic quantum anomalous Hall and AFM axion insulator states, as well as quantum Hall state, achieved under external magnetic field. Our results demonstrate that MnSb2Te4 is not topologically trivial as was previously believed that opens possibilities of realization of a wealth of topologically nontrivial states in the (MnSb2Te4)center dot(Sb2Te3)(n) family.

Automated summary

By using density functional theory, we proposed a series of van der Waals compounds with multiple topologically nontrivial magnetic phases, including antiferromagnetic topological insulators, ferromagnetic systems, and axion insulator states. These materials can exhibit different magnetic and topological electronic states under external magnetic field manipulation.