Realization of quasi-1D topological magnetism at the V-alloyed MoS2 zigzag edge

Abstract

Topological magnetism in quasi-1D systems can be interesting because of the significant quantum confinement. However, the realization is missing. In this letter, we propose the use of 3× periodicities related edge reconstructions of MoS₂ zigzag edges to construct a topological quasi-1D spin chain. Specifically, a trimer Su–Schrieffer–Heeger model can be applied to illustrate the topological and spin order when the inter-cell hopping integral is larger than the intra-cell ones. As a result, topological ferromagnetic order is achieved for S-oriented edge states magnetized by V atoms and confirmed by first-principles calculations and Wannier functions analysis. Finally, gap opening and spin-polarized end states are realized.