Eremeev S V, Rusinov I P, Koroteev Yu M, Vyazovskaya A Yu, Hoffmann M, Echenique P M, Ernst A, Otrokov M M, Chulkov E V
Institute of Strength Physics and Materials Science, Russian Academy of Sciences, 634021 Tomsk, Russia.
Tomsk State University, 634050 Tomsk, Russia.
J Phys Chem Lett. 2021 May 6;12(17):4268-4277. doi: 10.1021/acs.jpclett.1c00875. Epub 2021 Apr 28.
Using density functional theory, we propose the (MnSbTe)·(SbTe) 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 ( = 0, 1, 2) are 3D antiferromagnetic topological insulators, while for ≥ 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 ( = 0) or FM axion insulator states ( ≥ 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 MnSbTe is not topologically trivial as was previously believed that opens possibilities of realization of a wealth of topologically nontrivial states in the (MnSbTe)·(SbTe) family.
利用密度泛函理论，我们提出了具有多种拓扑非平凡磁相的化学计量比范德华化合物（MnSbTe）·（SbTe）家族。在基态下，该家族的前三个成员（ = 0、1、2）是三维反铁磁拓扑绝缘体，而对于 ≥ 3，会形成一种特殊相，其中在解耦的二维铁磁体系统中，非平凡拓扑序与部分磁无序共存，这些二维铁磁体的磁化沿第三方向随机指向。此外，由于层间交换耦合较弱，这些材料可以通过场驱动进入铁磁外尔半金属态（ = 0）或铁磁轴子绝缘体态（ ≥ 1）。最后，在二维情况下，我们发现这些系统会呈现本征量子反常霍尔态和反铁磁轴子绝缘体态，以及在外部磁场下实现的量子霍尔态。我们的结果表明，MnSbTe并非如之前所认为的那样拓扑平凡，这为在（MnSbTe）·（SbTe）家族中实现大量拓扑非平凡态开辟了可能性。
