From Topological Nodal-Line Semimetals to Quantum Spin Hall Insulators in Tetragonal SnX Monolayers (X=F, Cl, Br, I)

Abstract

Abstract Two-dimensional (2D) topological materials have recently garnered significant interest due to their profound physical properties and promising applications for future quantum nanoelectronics. Achieving various topological states within one type of materials is, however, seldom reported. Based on first-principles calculations and tight-binding models, we investigate topological electronic states in a novel family of 2D halogenated tetragonal stanene (T-SnX, X = F, Cl, Br, I). All the four monolayers are found to be unusual topological nodal-line semimetals (NLSs), protected by a glide mirror symmetry. When spin-orbit coupling (SOC) is turned on, T-SnF and T-SnCl are still ascertained as topological NLSs due to the remaining band inversion, primarily composed of Sn pxy orbitals, while T-SnBr and T-SnI become quantum spin Hall insulators. The phase transition is ascribed to moving up in energy of Sn s orbitals and increasing of SOC strengths. The topology origin in the materials is uniformly rationalized through elementary band representations. The robust and diverse topological states found in the 2D T-SnX monolayers position them as an excellent material platform for development of innovative topological electronics.