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Magnetic Second‐Order Topological Insulator: An Experimentally Feasible 2D CrSiTe 3

2023; Wiley; Volume: 33; Issue: 49 Linguagem: Inglês

10.1002/adfm.202304499

1616-3028

Xiaotian Wang, Xiaoping Li, Jianghua Li, Chengwu Xie, Jianhua Wang, Hongkuan Yuan, Wenhong Wang, Zhenxiang Cheng, Zhi‐Ming Yu, Gang Zhang,

Graphene research and applications

Abstract 2D second‐order topological insulators (SOTIs) have sparked significant interest, but currently, the proposed realistic 2D materials for SOTIs are limited to nonmagnetic systems. In this study, for the first time, a single layer of chalcogenide CrSiTe 3 —an experimentally realized transition metal trichalcogenide is proposed with a layer structure—as a 2D ferromagnetic (FM) SOTI. Based on first‐principles calculations, this study confirms that the CrSiTe 3 monolayer exhibits a nontrivial gapped bulk state in the spin‐up channel and a trivial gapped bulk state in the spin‐down channel. Based on the higher‐order bulk–boundary correspondence, it demonstrates that the CrSiTe 3 monolayer exhibits topologically protected corner states with a quantized fractional charge () in the spin‐up channel. Notably, unlike previous nonmagnetic examples, the topological corner states of the CrSiTe 3 monolayer are spin‐polarized and pinned at the corners of the sample in real space. Furthermore, the CrSiTe 3 monolayer retains SOTI features when the spin–orbit coupling (SOC) is considered, as evidenced by the corner charge and corner states distribution. Finally, by applying biaxial strain and hole doping, this study transforms the magnetic insulating bulk states into spin‐gapless semiconducting and half‐metallic bulk states, respectively. Importantly, the topological corner states persist in the spin‐up channel under these conditions.