First-principles prediction of ideal type-II Weyl phonons in wurtzite ZnSe

doi:10.1103/PhysRevB.103.094306

	First-principles prediction of ideal type-II Weyl phonons in wurtzite ZnSe
	Liu, Peng-Fei 2,3; Li, Jingyu 4; Tu, Xin-Hai 2,3; Li, Hang 5; Zhang, Junrong 2,3; Zhang, Ping 6,7; Gao, Qiang 8; Wang, Bao-Tian 1,2,3,6
刊名	PHYSICAL REVIEW B
	2021-03-22
卷号	103
ISSN号	2469-9950
DOI	10.1103/PhysRevB.103.094306
通讯作者	Liu, Peng-Fei()
英文摘要	Weyl materials, exhibiting topologically nontrivial touching points in band dispersion, are fascinating subjects of research, which have been extensively studied in electron-related systems. In this paper, by employing first-principles calculations of topological phonons in wurtzite-structured phases of MX chalcogenides (where M = Zn and Cd and X = O, S, Se, and Te), we demonstrate the existence of ideal type-II Weyl phonons in wurtzite ZnSe, a well-known II-VI semiconductor. There are in the q(z) = 0.0 plane six pairs of Weyl points stemming from the inversion between the two optical branches. The nontrivial phonon surface states and surface arcs projected on the semifinite (0001) surfaces are investigated. Phonon surface arcs connecting each pair of Weyl points with opposite chirality, guaranteed to be 0.55 angstrom(-1) and very long, are readily observable in experiment. The opposite chirality of Weyl points with quantized Berry curvature produces the Weyl phonon Hall effect. Our results propose a potential platform for future experimental study of type-II Weyl phonons in realistic materials.
资助项目	Natural Science Foundation of Guangdong Province of China[2018A0303100013] ; Science Challenge Project[TZ2016001] ; Natural Science Foundation of China[11804078] ; Natural Science Foundation of China[11675195] ; Natural Science Foundation of China[11805214] ; Natural Science Foundation of China[12074381]
WOS关键词	DISCOVERY ; LATTICE ; SEMIMETALS ; SCHEMES ; POINTS
WOS研究方向	Materials Science ; Physics
语种	英语
出版者	AMER PHYSICAL SOC
WOS记录号	WOS:000646418900002
资助机构	Natural Science Foundation of Guangdong Province of China ; Science Challenge Project ; Natural Science Foundation of China
内容类型	期刊论文
源URL	[http://ir.hfcas.ac.cn:8080/handle/334002/122083]
专题	中国科学院合肥物质科学研究院
通讯作者	Liu, Peng-Fei
作者单位	1.Shanxi Univ, Collaborat Innovat Ctr Extreme Opt, Taiyuan 030006, Shanxi, Peoples R China 2.Chinese Acad Sci, Inst High Energy Phys, Beijing 100049, Peoples R China 3.Spallat Neutron Source Sci Ctr SNSSC, Dongguan 523803, Peoples R China 4.Chinese Acad Sci, Inst Solid State Phys, Key Lab Mat Phys, HFIPS, Hefei 230031, Peoples R China 5.Henan Univ, Sch Phys & Elect, Kaifeng 475004, Peoples R China 6.Qufu Normal Univ, Sch Phys & Phys Engn, Qufu 273165, Shandong, Peoples R China 7.Inst Appl Phys & Computat Math, Beijing 100088, Peoples R China 8.Beihang Univ, Sch Elect & Informat Engn, Beijing 100191, Peoples R China
推荐引用方式 GB/T 7714	Liu, Peng-Fei,Li, Jingyu,Tu, Xin-Hai,et al. First-principles prediction of ideal type-II Weyl phonons in wurtzite ZnSe[J]. PHYSICAL REVIEW B,2021,103.
APA	Liu, Peng-Fei.,Li, Jingyu.,Tu, Xin-Hai.,Li, Hang.,Zhang, Junrong.,...&Wang, Bao-Tian.(2021).First-principles prediction of ideal type-II Weyl phonons in wurtzite ZnSe.PHYSICAL REVIEW B,103.
MLA	Liu, Peng-Fei,et al."First-principles prediction of ideal type-II Weyl phonons in wurtzite ZnSe".PHYSICAL REVIEW B 103(2021).