摘要
We propose a new family of 3D Dirac semimetals based on XAuTe(X = K, Na, Rb) ternary honeycomb compounds, determined based on first-principles calculations, which are shown to be topological Dirac semimetals in which the Dirac points are induced by band inversion. Dirac points with four-fold degeneracy that are protected by C3 rotation symmetry and located on the Γ-A high-symmetry path are found. Through spatial-inversion symmetry breaking, a K(Au0.5 Hg0.5)(Te0.5As0.5) superlattice structure composed of KHgAs and KAuTe compounds is proven to be a Weyl semimetal with type-II Weyl points, which connect electronand hole-like bands. In this superlattice structure, the six pairs of Weyl nodes are distributed along the K-Γ high-symmetry path on the kz = 0 plane. Our research expands the family of topological Dirac and type-II Weyl semimetals.
We propose a new family of 3D Dirac semimetals based on XAuTe（X = K, Na, Rb） ternary honeycomb compounds, determined based on first-principles calculations, which are shown to be topological Dirac semimetals in which the Dirac points are induced by band inversion. Dirac points with four-fold degeneracy that are protected by C3 rotation symmetry and located on the Γ-A high-symmetry path are found. Through spatial-inversion symmetry breaking, a K（Au0.5 Hg0.5）（Te0.5As0.5） superlattice structure composed of KHgAs and KAuTe compounds is proven to be a Weyl semimetal with type-II Weyl points, which connect electronand hole-like bands. In this superlattice structure, the six pairs of Weyl nodes are distributed along the K-Γ high-symmetry path on the kz = 0 plane. Our research expands the family of topological Dirac and type-II Weyl semimetals.
作者
Hao Sun
Jin Zhao
Hao Sun;Jin Zhao(International Center for Quantum Design of Functional Materials/Hefei National Laboratory for Physical Sciences at Microscale and Key Laboratory of Strongly-Coupled Quantum Matter Physics, Chinese Academy of Sciences, and Department of Physics, University of Science and Technology of China;Synergetic Innovation Center of Quantum Information & Quantum Physics, University of Science and Technology of China;Department of Physics and Astronomy, University of Pittsburgh)
基金
supported by the National Natual Science Foundation of China (Grant Nos. 21373190, 11322434 and 21421063)
sponsored by the DOE Office of Biological and Environmental Research
