ITP OpenIR  > 理论物理所科研产出  > SCI论文
Xie, T; Wang, R; Wang, SF; Wu, XZ; Wu, XZ (reprint author), Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China.; Wu, XZ (reprint author), Chongqing Univ, Dept Phys, Chongqing 400044, Peoples R China.
Charge transfer of edge states in zigzag silicene nanoribbons with Stone-Wales defects from first-principles
Source PublicationAPPLIED SURFACE SCIENCE
Language英语
KeywordZigzag Silicene Nanoribbons Stone-wales Defects Electronic Properties First-principles
AbstractStone-Wales (SW) defects are favorably existed in graphene-like materials with honeycomb lattice structure and potentially employed to change the electronic properties in band engineering. In this paper, we investigate structural and electronic properties of SW defects in silicene sheet and its nanoribbons as a function of their concentration using the methods of periodic boundary conditions with first-principles calculations. We first calculate the formation energy, structural properties, and electronic band structures of SW defects in silicene sheet, with dependence on the concentration of SW defects. Our results show a good agreement with available values from the previous first-principles calculations. The energetics, structural aspects, and electronic properties of SW defects with dependence on defect concentration and location in edge-hydrogenated zigzag silicene nanoribbons are obtained. For all calculated concentrations, the SW defects prefer to locate at the edge due to the lower formation energy. The SW defects at the center of silicene nanoribbons slightly influence on the electronic properties, whereas the SW defects at the edge of silicene nanoribbons split the degenerate edge states and induce a sizable gap, which depends on the concentration of defects. It is worth to find that the SW defects produce a perturbation repulsive potential, which leads the decomposed charge of edge states at the side with defect to transfer to the other side without defect. (C) 2016 Elsevier B.V. All rights reserved.
2016
Volume383Pages:310-316
Subject AreaChemistry ; Materials Science ; Physics
DOIhttp://dx.doi.org/10.1016/j.apsusc.2016.04.172
Indexed BySCI
Funding OrganizationNational Science Foundation of China [11304403] ; National Science Foundation of China [11304403] ; National Science Foundation of China [11304403] ; National Science Foundation of China [11304403] ; Fundamental Research Funds for the Central Universities of China [CDJXY300003, 106112015CDJXY300006] ; Fundamental Research Funds for the Central Universities of China [CDJXY300003, 106112015CDJXY300006] ; Fundamental Research Funds for the Central Universities of China [CDJXY300003, 106112015CDJXY300006] ; Fundamental Research Funds for the Central Universities of China [CDJXY300003, 106112015CDJXY300006]
Citation statistics
Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/21506
Collection理论物理所科研产出_SCI论文
Corresponding AuthorWu, XZ (reprint author), Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China.; Wu, XZ (reprint author), Chongqing Univ, Dept Phys, Chongqing 400044, Peoples R China.
Recommended Citation
GB/T 7714
Xie, T,Wang, R,Wang, SF,et al. Charge transfer of edge states in zigzag silicene nanoribbons with Stone-Wales defects from first-principles[J]. APPLIED SURFACE SCIENCE,2016,383:310-316.
APA Xie, T,Wang, R,Wang, SF,Wu, XZ,Wu, XZ ,&Wu, XZ .(2016).Charge transfer of edge states in zigzag silicene nanoribbons with Stone-Wales defects from first-principles.APPLIED SURFACE SCIENCE,383,310-316.
MLA Xie, T,et al."Charge transfer of edge states in zigzag silicene nanoribbons with Stone-Wales defects from first-principles".APPLIED SURFACE SCIENCE 383(2016):310-316.
Files in This Item:
File Name/Size DocType Version Access License
Charge transfer of e(2793KB) 开放获取--Application Full Text
Related Services
Recommend this item
Bookmark
Usage statistics
Export to Endnote
Google Scholar
Similar articles in Google Scholar
[Xie, T]'s Articles
[Wang, R]'s Articles
[Wang, SF]'s Articles
Baidu academic
Similar articles in Baidu academic
[Xie, T]'s Articles
[Wang, R]'s Articles
[Wang, SF]'s Articles
Bing Scholar
Similar articles in Bing Scholar
[Xie, T]'s Articles
[Wang, R]'s Articles
[Wang, SF]'s Articles
Terms of Use
No data!
Social Bookmark/Share
All comments (0)
No comment.
 

Items in the repository are protected by copyright, with all rights reserved, unless otherwise indicated.