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Electronic properties of defects induced by hydrogen and helium radiation on Weyl semimetal niobium arsenic

文献类型：期刊论文

作者Zhang, Zhao-Jun1; Fu, Yan-Long1; Cheng, Wei1,2; Zhang, Feng-Shou1,3,4
刊名COMPUTATIONAL MATERIALS SCIENCE
出版日期2019-04-01
卷号160页码:9-15
关键词Weyl semimetal Defects Electronic properties NbAs
ISSN号0927-0256
DOI10.1016/j.commatsci.2018.12.049
英文摘要Niobium Arsenic (NbAs), presenting some novel properties, is a high-profile topological material in condensed matter physics. Our study focuses on the NbAs after hydrogen (H) and helium (He) radiation. There are a variety of defects induced. We investigate into the electronic properties of defects by analyzing electronic dispersion curves and density of states based on the DFT method. Meanwhile the formation energy of these defects are calculated. The impacts of radiation are various in different defects. Defects of interstitial H and He atom do not affect the topological properties of NbAs at low defect concentration. However, the other defects destruct part of the Weyl points, especially in the defects of vacancy and substitution As for Nb. In addition, Fermi levels of these defects shift and the degenerate bands are separate. From the perspective of formation energy, the defect of H interstitial is the easiest one to be formed in all the defects.
WOS关键词1ST-PRINCIPLES
资助项目National Natural Science Foundation of China[11635003] ; National Natural Science Foundation of China[11025524] ; National Natural Science Foundation of China[11161130520] ; National Basic Research Program of China[2010CB832903] ; European Commissions 7th Framework Programme (FP7-PEOPLE-2010-IRSES)[269131]
WOS研究方向Materials Science
语种英语
WOS记录号WOS:000459825600002
出版者ELSEVIER SCIENCE BV
资助机构National Natural Science Foundation of China ; National Basic Research Program of China ; European Commissions 7th Framework Programme (FP7-PEOPLE-2010-IRSES)
源URL[http://119.78.100.186/handle/113462/64561]  
专题中国科学院近代物理研究所
作者单位1.Beijing Normal Univ, Minist Educ, Coll Nucl Sci & Technol, Key Lab Beam Technol & Mat Modificat, Beijing 100875, Peoples R China
2.Chinese Acad Sci, Ningbo Inst Ind Technol, Ningbo 315201, Zhejiang, Peoples R China
3.Beijing Radiat Ctr, Beijing 100875, Peoples R China
4.Natl Lab Heavy Ion Accelerator Lanzhou, Ctr Theoret Nucl Phys, Lanzhou 730000, Gansu, Peoples R China
推荐引用方式
GB/T 7714		 Zhang, Zhao-Jun,Fu, Yan-Long,Cheng, Wei,et al. Electronic properties of defects induced by hydrogen and helium radiation on Weyl semimetal niobium arsenic[J]. COMPUTATIONAL MATERIALS SCIENCE,2019,160:9-15.
APA Zhang, Zhao-Jun,Fu, Yan-Long,Cheng, Wei,&Zhang, Feng-Shou.(2019).Electronic properties of defects induced by hydrogen and helium radiation on Weyl semimetal niobium arsenic.COMPUTATIONAL MATERIALS SCIENCE,160,9-15.
MLA Zhang, Zhao-Jun,et al."Electronic properties of defects induced by hydrogen and helium radiation on Weyl semimetal niobium arsenic".COMPUTATIONAL MATERIALS SCIENCE 160(2019):9-15.

入库方式： OAI收割

来源：近代物理研究所

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