DOI: 10.1016/j.scib.2020.12.028
论文题名: High-throughput screening for Weyl semimetals with S4 symmetry
作者: Gao J. ; Qian Y. ; Nie S. ; Fang Z. ; Weng H. ; Wang Z.
刊名: Science Bulletin
ISSN: 20959273
出版年: 2021
卷: 66, 期: 7 起始页码: 667
结束页码: 675
语种: 英语
中文关键词: High-throughput screening
; S4 symmetry
; Topological invariants
; Weyl semimetals
; Wilson-loop technique
英文关键词: Calculations
; Eigenvalues and eigenfunctions
; Spin glass
; Compatibility relation
; First-principles calculation
; High throughput screening
; Improper-rotation
; Irreducible representations
; Magnetic compounds
; Magnetic frustrations
; Topological invariants
; Topology
英文摘要: Based on irreducible representations (or symmetry eigenvalues) and compatibility relations (CR), a material can be predicted to be a topological/trivial insulator (satisfying CR) or a topological semimetal (violating CR). However, Weyl semimetals (WSMs) usually go beyond this symmetry-based strategy. In other words, Weyl nodes could emerge in a material, no matter if its occupied bands satisfy CR, or if the symmetry indicators are zero. In this work, we propose a new topological invariant χ for the systems with S4 symmetry (i.e., the improper rotation S4(≡IC4z) is a proper fourfold rotation (C4z) followed by inversion (I)), which can be used to diagnose the WSM phase. Moreover, χ can be easily computed through the one-dimensional Wilson-loop technique. By applying this method to the high-throughput screening in our first-principles calculations, we predict a lot of WSMs in both nonmagnetic and magnetic compounds. Various interesting properties (e.g., magnetic frustration effects, superconductivity and spin-glass order, etc.) are found in predicted WSMs, which provide realistic platforms for future experimental study of the interplay between Weyl fermions and other exotic states. © 2020 Science China Press Citation statistics:
资源类型: 期刊论文
标识符: http://119.78.100.158/handle/2HF3EXSE/170250
Appears in Collections: 气候变化与战略
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作者单位: Beijing National Laboratory for Condensed Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing, 100190, China; University of Chinese Academy of Sciences, Beijing, 100049, China; Department of Materials Science and Engineering, Stanford University, Stanford, CA 94305, United States
Recommended Citation:
Gao J.,Qian Y.,Nie S.,et al. High-throughput screening for Weyl semimetals with S4 symmetry[J]. Science Bulletin,2021-01-01,66(7)