Abstract
Using the first-principles calculations, we present a prediction of the nontrivial topological phase in one-dimensional (1D) with high stability further verified by the molecular dynamics simulation and phonon spectrum. In this material, the band inversion intrinsically occurs between and orbitals without the spin-orbit coupling effect. As a novel topological insulator, protected by time-reversal symmetry Tˆ and inversion symmetry Pˆ, we explicitly demonstrate the existence of nontrivial topological invariants and the protected edge states in it with a large bulk band gap of , which could facilitate the experimental verification at the room temperature. In addition, we find its topological states are robust against the external pressure. Our results uncover a potential 1D topological-insulating and promote it as a concrete material platform for exploring the intriguing physics of low-dimensional topological phases.
- Received 13 January 2022
- Revised 10 April 2022
- Accepted 6 May 2022
DOI:https://doi.org/10.1103/PhysRevB.105.195419
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