2016/03/20 by Wendong Cao, Peizhe Tang, Yong Xu +3
Chemistry · Engineering · Materials Science · Physics and Astronomy · #Band gap #Chemistry #Condensed matter physics #Crystallography #Dirac (video compression format) #Graphene research and applications #Hexagonal crystal system #Intermetallics and Advanced Alloy Properties #Materials science #Phase (matter) #Physics #Political science #Quantum mechanics #Semimetal #Topological Materials and Phenomena #cond-mat.mtrl-sci
paper · pdf · doi:10.1103/physrevb.96.115203
published as Phys. Rev. B 96, 115203 (2017) · 12 pages, 6 figures
arxiv created 2016/03/20 · openalex publication_date 2017/09/11 · arxiv updated 2017/09/20 · openalex created_date 2025/10/10 · openalex updated_date 2026/08/05
Based on first-principles calculations, we find that LiZnBi, a metallic hexagonal ABC compound, has a pair of three-dimensional Dirac nodes and exhibits nontrivial topological properties under proper strain configurations. The nontrivial topological nature of the strained LiZnBi is directly demonstrated by calculating its ℤ2 index and the surface states. The low-energy states are shown to be sensitive to strain configurations, and we propose that these nontrivial topological properties can be observed under compressive in-plane strain in experiments. The finding of the Dirac semimetal phase in LiZnBi may intrigue further research on the topological properties of hexagonal ABC materials and promote new practical applications.