New family of Dirac and Weyl semimetals in XAuTe（X=Na, K,Rb） ternary honeycomb compounds

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 degener...

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Bibliographic Details
Published in:中国科学：物理学、力学、天文学英文版 2016 (10), p.66-71
Main Author: Hao Sun Jin Zhao
Format: Article
Language:English
Subjects:
三元
化合物
半金属
家庭
狄拉克
蜂窝
Online Access:Get full text
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Summary: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.
ISSN:1674-7348
1869-1927