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
发表期刊JOURNAL OF APPLIED PHYSICS
语种英语
关键词Augmented-wave Method Graphene
摘要Density-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
卷号116期号:2页码:24303
学科领域Physics
DOI10.1063/1.4887353
收录类别SCI
项目资助者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] ; National Science Foundation of China [11304403]; Fundamental Research Funds for the Central Universities of China [CQDXWL-2013-Z011]
引用统计
文献类型期刊论文
条目标识符http://ir.itp.ac.cn/handle/311006/15710
专题理论物理所科研产出_SCI论文
通讯作者Wang, R (reprint author), Chongqing Univ, Inst Struct & Funct, Chongqing 400044, Peoples R China.
推荐引用方式
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.
条目包含的文件
条目无相关文件。
个性服务
推荐该条目
保存到收藏夹
查看访问统计
导出为Endnote文件
谷歌学术
谷歌学术中相似的文章
[Wang, R]的文章
[Wang, SF]的文章
[Wu, XZ]的文章
百度学术
百度学术中相似的文章
[Wang, R]的文章
[Wang, SF]的文章
[Wu, XZ]的文章
必应学术
必应学术中相似的文章
[Wang, R]的文章
[Wang, SF]的文章
[Wu, XZ]的文章
相关权益政策
暂无数据
收藏/分享
所有评论 (0)
暂无评论
 

除非特别说明,本系统中所有内容都受版权保护,并保留所有权利。