气候变化领域集成服务门户(CCPortal): High-throughput screening for Weyl semimetals with S4 symmetry

CCPortal

DOI	10.1016/j.scib.2020.12.028
	High-throughput screening for Weyl semimetals with S4 symmetry
	Gao J.; Qian Y.; Nie S.; Fang Z.; Weng H.; Wang Z.
发表日期	2021
ISSN	20959273
起始页码	667
结束页码	675
卷号	66 期号:7
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
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
语种	英语
来源期刊	Science Bulletin
文献类型	期刊论文
条目标识符	http://gcip.llas.ac.cn/handle/2XKMVOVA/207402
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
推荐引用方式 GB/T 7714	Gao J.,Qian Y.,Nie S.,et al. High-throughput screening for Weyl semimetals with S4 symmetry[J],2021,66(7).
APA	Gao J.,Qian Y.,Nie S.,Fang Z.,Weng H.,&Wang Z..(2021).High-throughput screening for Weyl semimetals with S4 symmetry.Science Bulletin,66(7).
MLA	Gao J.,et al."High-throughput screening for Weyl semimetals with S4 symmetry".Science Bulletin 66.7(2021).