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题名: Structural and electronic properties of germanene/MoS2 monolayer and silicene/MoS2 monolayer superlattices
作者: Li, XD;  Wu, SQ;  Zhou, S;  Zhu, ZZ
刊名: NANOSCALE RESEARCH LETTERS
出版日期: 2014
卷号: 9, 期号:-, 页码:110
关键词: TOTAL-ENERGY CALCULATIONS ;  LITHIUM ION BATTERIES ;  WAVE BASIS-SET ;  AB-INITIO ;  ELECTROCHEMICAL PERFORMANCES ;  THERMAL-CONDUCTIVITY ;  SURFACE-ADSORPTION ;  BAND-GAP ;  GRAPHENE ;  MOS2
学科分类: Physics
DOI: 10.1186/1556-276X-9-110
通讯作者: Zhu, ZZ (reprint author), Xiamen Univ, Dept Phys, Xiamen 361005, Peoples R China.
部门归属: [Li, Xiaodan
英文摘要: Superlattice provides a new approach to enrich the class of materials with novel properties. Here, we report the structural and electronic properties of superlattices made with alternate stacking of two-dimensional hexagonal germanene (or silicene) and a MoS2 monolayer using the first principles approach. The results are compared with those of graphene/MoS2 superlattice. The distortions of the geometry of germanene, silicene, and MoS2 layers due to the formation of the superlattices are all relatively small, resulting from the relatively weak interactions between the stacking layers. Our results show that both the germanene/MoS2 and silicene/MoS2 superlattices are manifestly metallic, with the linear bands around the Dirac points of the pristine germanene and silicene seem to be preserved. However, small band gaps are opened up at the Dirac points for both the superlattices due to the symmetry breaking in the germanene and silicene layers caused by the introduction of the MoS2 sheets. Moreover, charge transfer happened mainly within the germanene (or silicene) and the MoS2 layers (intra-layer transfer), as well as some part of the intermediate regions between the germanene (or silicene) and the MoS2 layers (inter-layer transfer), suggesting more than just the van der Waals interactions between the stacking sheets in the superlattices.
资助者: National 973 Program of China [2011CB935903]; National Natural Science Foundation of China [11104229, 21233004]
收录类别: SCI
原文出处: 查看原文
语种: 英语
WOS记录号: WOS:000334412300001
Citation statistics: 
内容类型: 期刊论文
URI标识: http://ir.itp.ac.cn/handle/311006/15809
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Recommended Citation:
Li, XD,Wu, SQ,Zhou, S,et al. Structural and electronic properties of germanene/MoS2 monolayer and silicene/MoS2 monolayer superlattices[J]. NANOSCALE RESEARCH LETTERS,2014,9(-):110.
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