2016/12/28 by Peiheng Zhou, Zhou, P., Lizhong Sun +2
Materials Science · Physics and Astronomy · #Advanced Chemical Physics Studies #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Topological Materials and Phenomena
paper · pdf · doi:10.48550/arxiv.1612.08889
openalex publication_date 2016/12/28 · openalex created_date 2019/06/27 · openalex updated_date 2026/07/28
Based on density functional theory and Berry curvature calculations, we predict that p-p band inversion type quantum spin Hall effect (QSHE) can be realized in a series of two dimensional (2D) bilayer honeycomb TlM (M = N, P, As, Sb), which can be effectively equivalent to bilayer triangular lattice for low energy electrons. Further topological analysis reveals that the band inversion between pz- and px,y of M atom contributes to the nontrivial topological nature of TlM. The band inversion is independent of spin-orbit coupling which is distinctive from conventional topological insulators (TIs). A tight binding model based on triangle lattice is constructed to describe the QSH states in the systems. Besides the interesting 2D triangular lattice p-p type inversion for the topological mechanism, the maximal local band gap of the systems can reach 550 meV (TlSb), which provides a new choice for future room temperature quantum spin Hall Insulator (QSHI). Considering the advance of the technology of van der Waals passivation, combining with hexagonal materials, such as h-BN, TlMs show great potential for future 2D topological electronic devices.