文献类型：期刊文献

英文题名：Van der Waals stacking-induced diverse topological phases in higher-order topological insulators

作者：Xu, Wenting[1,2,3];Xue, Yang[4];Zhao, Hongyan[1,2,3];Zhang, Hongguo[1,2,3];Yang, Zhongqin[1,2,3,5]

机构：[1]Fudan Univ, State Key Lab Surface Phys, Shanghai 200433, Peoples R China;[2]Fudan Univ, Key Lab Computat Phys Sci MOE, Shanghai 200433, Peoples R China;[3]Fudan Univ, Dept Phys, Shanghai 200433, Peoples R China;[4]East China Univ Sci & Technol, Dept Phys, Shanghai 200237, Peoples R China;[5]Shanghai Qi Zhi Inst, Shanghai 200030, Peoples R China

年份：2026

外文期刊名：JOURNAL OF MATERIALS CHEMISTRY C

收录：;EI(收录号：20263321276983);Scopus(收录号：2-s2.0-105046949151);WOS:【SCI-EXPANDED(收录号:WOS:001844091100001)】；

基金：This work was supported by the National Natural Science Foundation of China (Grants No. 12574254, 12174059, and 11904101).

语种：英文

外文关键词：Binding energy - Chemical bonds - D region - Density functional theory - Electric insulators - Phase transitions - Quantum theory - Topological insulators - Topology

摘要：Two-dimensional (2D) tetragonal group-V materials have attracted considerable interest, while their topological properties remain largely unexplored. Using density functional theory, topological quantum chemistry theory, and a tight-binding model, we show that monolayer tetragonal antimonene (T-Sb) realizes a higher-order topological insulator (HOTI). A layer-dependent analysis reveals an even-odd oscillation between HOTI and trivial phases with varying layer numbers. Upon stacking these 2D layers into a three-dimensional structure, successive phase transitions from a metal to a strong topological insulator and eventually to a weak HOTI are driven by tuning the interlayer van der Waals (vdW) coupling. Tight-binding (TB) model analysis shows that these transitions are closely related to the vdW-modulated vertical hopping strength and onsite energy of Sb pz orbitals. Moreover, the TB model predicts a weak topological insulator phase within an appropriate parameter regime of interlayer vdW interaction and spin-orbit coupling, as verified in T-Sb materials. These results highlight vdW engineering as an experimentally accessible strategy for designing diverse topological phases based on 2D HOTIs.