Electronic properties of defects in Weyl semimetal tantalum arsenide

doi:10.1088/1674-1056/27/9/097101

	Electronic properties of defects in Weyl semimetal tantalum arsenide
	Fu, Yan-Long 1,2; Li, Chang-Kai 1,2; Zhang, Zhao-Jun 1,2; Sang, Hai-Bo 1,2; Cheng, Wei 1,2,4; Zhang, Feng-Shou 1,2,3
刊名	CHINESE PHYSICS B
	2018-09
卷号	27 期号:9 页码:097101
关键词	Weyl semimetal first-principles calculations band structures density of states
ISSN号	1674-1056
DOI	10.1088/1674-1056/27/9/097101
英文摘要	The tantalum arsenide (TaAs) is a topological Weyl semimetal which is a class of materials of gapless with three-dimensional topological structure. In order to develop a comprehensive description of the topological properties of the Weyl semimetal, we use the density functional theory to study several defects of TaAs after H irradiation and report the electronic dispersion curves and the density of states of these defects. We find that various defects have different influences on the topological properties. Interstitial H atom can shift the Fermi level. Both Ta vacancy with a concentration of 1/64 and As vacancy with a concentration of 1/64 destruct a part of the Weyl points. The substitutional H atom on a Ta site could repair only a part of the Weyl points, while H atom on an As site could repair all the Weyl points.
资助项目	European Commissions of 7th Framework Programme (FP7-PEOPLE-2010-IRSES)[269131]
WOS关键词	FERMION SEMIMETAL ; TAAS ; ARCS
WOS研究方向	Physics
语种	英语
出版者	IOP PUBLISHING LTD
WOS记录号	WOS:000445022300001
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/59705]
专题	中国科学院近代物理研究所
作者单位	1.Beijing Normal Univ, Coll Nucl Sci & Technol, Key Lab Beam Technol, Minist Educ, Beijing 100875, Peoples R China 2.Beijing Radiat Ctr, Beijing 100875, Peoples R China 3.Natl Lab Heavy Ion Accelerator Lanzhou, Ctr Theoret Nucl Phys, Lanzhou 730000, Gansu, Peoples R China 4.Chinese Acad Sci, Ningbo Inst Ind Technol, Ningbo 315201, Zhejiang, Peoples R China
推荐引用方式 GB/T 7714	Fu, Yan-Long,Li, Chang-Kai,Zhang, Zhao-Jun,et al. Electronic properties of defects in Weyl semimetal tantalum arsenide[J]. CHINESE PHYSICS B,2018,27(9):097101.
APA	Fu, Yan-Long,Li, Chang-Kai,Zhang, Zhao-Jun,Sang, Hai-Bo,Cheng, Wei,&Zhang, Feng-Shou.(2018).Electronic properties of defects in Weyl semimetal tantalum arsenide.CHINESE PHYSICS B,27(9),097101.
MLA	Fu, Yan-Long,et al."Electronic properties of defects in Weyl semimetal tantalum arsenide".CHINESE PHYSICS B 27.9(2018):097101.