ITP OpenIR  > 理论物理所科研产出  > SCI论文
Wang, R; Wang, SF; Wu, XZ; Wang, R (reprint author), Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China.
The formation and electronic properties of hydrogenated bilayer silicene from first-principles
Source PublicationJOURNAL OF APPLIED PHYSICS
Language英语
KeywordAugmented-wave Method Graphene
AbstractDensity-functional calculations of the formation and electronic properties of bilayer silicene and hydrogenated bilayer silicene are present. The structure optimization and phonon calculations are carried out to demonstrate that bilayer silicene has stable structure with AB stacking and preserves the linear energy dispersions near the K and K' points in the hexagonal Brillouin zone, and our results agree well with the previous calculations. Based on the symmetry of bilayer silicene, we study the stability of four hydrogenated bilayer silicene by the phonon-mode analysis. The configurations of semihydrogenated one-layer and semihydrogenated double-layer are confirmed as dynamically stable with no imaginary phonon frequencies. The case of semihydrogenated one-layer shows ferromagnetic ground state due to the unpaired 3p electrons, while that of semihydrogenated double-layer is predicted to be a indirect band gap semiconductor with nonmagnetic ground state. (C) 2014 AIP Publishing LLC.
2014
ISSN0021-8979
Volume116Issue:2Pages:24303
Subject AreaPhysics
DOI10.1063/1.4887353
Indexed BySCI
Funding OrganizationNational Science Foundation of China [11304403]; Fundamental Research Funds for the Central Universities of China [CQDXWL-2013-Z011] ; National Science Foundation of China [11304403]; Fundamental Research Funds for the Central Universities of China [CQDXWL-2013-Z011] ; National Science Foundation of China [11304403]; Fundamental Research Funds for the Central Universities of China [CQDXWL-2013-Z011] ; National Science Foundation of China [11304403]; Fundamental Research Funds for the Central Universities of China [CQDXWL-2013-Z011]
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Document Type期刊论文
Identifierhttp://ir.itp.ac.cn/handle/311006/15710
Collection理论物理所科研产出_SCI论文
Corresponding AuthorWang, R (reprint author), Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China.
Recommended Citation
GB/T 7714
Wang, R,Wang, SF,Wu, XZ,et al. The formation and electronic properties of hydrogenated bilayer silicene from first-principles[J]. JOURNAL OF APPLIED PHYSICS,2014,116(2):24303.
APA Wang, R,Wang, SF,Wu, XZ,&Wang, R .(2014).The formation and electronic properties of hydrogenated bilayer silicene from first-principles.JOURNAL OF APPLIED PHYSICS,116(2),24303.
MLA Wang, R,et al."The formation and electronic properties of hydrogenated bilayer silicene from first-principles".JOURNAL OF APPLIED PHYSICS 116.2(2014):24303.
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