First-principles study of the structural and electronic properties of MoS2-WS2 and MoS2-MoTe2 monolayer heterostructures
文献类型：期刊论文
| 作者 | Wang, Qianwen1,2; Wu, Ping1,2; Cao, Gengyu1; Huang, Min1 |
| 刊名 | JOURNAL OF PHYSICS D-APPLIED PHYSICS
 |
| 出版日期 | 2013-12-18 |
| 卷号 | 46期号:50 |
| 英文摘要 | Using first-principles calculations, we have systematically investigated the geometric and electronic structure of MoS2-WS2 and MoS2-MoTe2 monolayer (ML) heterostructures. Analysis of the variation of the total density of states and partial density of states of the specific atoms in the interfaces demonstrates that the two heterostructures show rather different properties and different changes from the initial MoS2 ML. The MoS2-WS2 ML heterostructure is still a semiconductor with a band gap of 1.58 eV, which is smaller than that of MoS2 and WS2 MLs. However, the strong interactions between MoS2 and MoTe2 at the interfacial sites induce the MoS2-MoTe2 ML heterostructure to display metallic characteristics. Our results indicate that the ML heterostructures of MoS2-WS2 and MoS2-MoTe2 are expected to be a possible way to extend the application of the transition-metal dichalcogenides. |
| WOS标题词 | Science & Technology ; Physical Sciences |
| 类目[WOS] | Physics, Applied |
| 研究领域[WOS] | Physics |
| 关键词[WOS] | TRANSITION-METAL DICHALCOGENIDES ; MAGNETIC-PROPERTIES ; LAYERED MATERIALS ; TRANSISTORS ; SEMICONDUCTORS ; STABILITY ; MO1-XWXS2 ; MOSE2 |
| 收录类别 | SCI |
| 语种 | 英语 |
| WOS记录号 | WOS:000331143600024 |
| 公开日期 | 2016-05-09 |
| 源URL | [http://ir.wipm.ac.cn/handle/112942/866]  |
| 专题 | 武汉物理与数学研究所_原子分子光物理研究部 |
| 作者单位 | 1.Chinese Acad Sci, Wuhan Inst Phys & Math, State Key Lab Magnet Resonance & Atom & Mol Phys, Wuhan 430071, Peoples R China 2.Univ Chinese Acad Sci, Beijing 10004, Peoples R China |
| 推荐引用方式 GB/T 7714 | Wang, Qianwen,Wu, Ping,Cao, Gengyu,et al. First-principles study of the structural and electronic properties of MoS2-WS2 and MoS2-MoTe2 monolayer heterostructures[J]. JOURNAL OF PHYSICS D-APPLIED PHYSICS,2013,46(50). |
| APA | Wang, Qianwen,Wu, Ping,Cao, Gengyu,&Huang, Min.(2013).First-principles study of the structural and electronic properties of MoS2-WS2 and MoS2-MoTe2 monolayer heterostructures.JOURNAL OF PHYSICS D-APPLIED PHYSICS,46(50). |
| MLA | Wang, Qianwen,et al."First-principles study of the structural and electronic properties of MoS2-WS2 and MoS2-MoTe2 monolayer heterostructures".JOURNAL OF PHYSICS D-APPLIED PHYSICS 46.50(2013). |
入库方式： OAI收割
来源：武汉物理与数学研究所
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