| Negative differential resistance behavior of silicon monatomic chain encapsulated in carbon nanotubes |
| Zhang YY(张营营) ; Wang FC(王奉超); Zhao YP(赵亚溥); Zhao, YP; Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
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| 发表期刊 | COMPUTATIONAL MATERIALS SCIENCE
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| 2012-09-01
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| 卷号 | 62页码:87-92 |
| ISSN | 0927-0256
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| 摘要 | Using nonequilibrium Green's functions in combination with density-functional theory (DFT), we investigated the electronic transport properties of the silicon monatomic chains (SiMCs) with different geometries which were induced by the encapsulation of the carbon nanotubes (CNTs). The encapsulated SiMCs, which were put inside (5,5), (6,6), (7,7) and (8,8) hydrogenated armchair CNTs, were coupled to two Au (1 0 0) nanoscale electrodes. The electronic transport property of an isolated finite SiMC was also studied to serve as a reference to our calculations. As the diameter of CNTs increases, the geometry structures of SiMCs changed. Calculated results show that the current-voltage (I-V) characteristics depend sensitively on the geometry structures of SiMCs and can be controlled by the size-selective encapsulation. Negative differential resistance (NDR) phenomena were observed within certain bias voltage ranges. A detailed analysis of the origin of NDR was carried out with the transmission spectrum, the spatial distribution of frontier molecular orbitals and the molecular projected self-consistent Hamiltonian (MPSH) states taken into consideration. These results indicated that the size-selective encapsulation of SiMCs in CNTs can become a possible candidate for designing the silicon-based nanoelectronic devices. |
| 关键词 | Silicon Monatomic Chain
Size-selective Encapsulation
Electronic Transport Properties
Negative Differential Resistance
Transmission Spectrum
Field-effect Transistors
Single
Nanowires
Simulations
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| 学科领域 | 物理力学
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| URL | 查看原文
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| 收录类别 | SCI
; EI
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| 语种 | 英语
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| WOS记录号 | WOS:000306106000014
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| 项目资助者 | This work was supported by the National Natural Science Foundation of China (NSFC, Grant No. 60936001). This work was supported by the National Natural Science Foundation of China (NSFC, Grant Nos. 60936001 and 11021262).
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| 课题组名称 | LNM纳/微系统力学与物理力学
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| 论文分区 | 二类/Q2
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| 引用统计 |
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| 文献类型 | 期刊论文
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| 条目标识符 | http://dspace.imech.ac.cn/handle/311007/46713
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| 专题 | 非线性力学国家重点实验室
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| 通讯作者 | Zhao, YP; Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China. |
推荐引用方式
GB/T 7714 |
Zhang YY,Wang FC,Zhao YP,et al. Negative differential resistance behavior of silicon monatomic chain encapsulated in carbon nanotubes[J]. COMPUTATIONAL MATERIALS SCIENCE,2012,62:87-92.
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| APA |
张营营,王奉超,赵亚溥,Zhao, YP,&Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China..(2012).Negative differential resistance behavior of silicon monatomic chain encapsulated in carbon nanotubes.COMPUTATIONAL MATERIALS SCIENCE,62,87-92.
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| MLA |
张营营,et al."Negative differential resistance behavior of silicon monatomic chain encapsulated in carbon nanotubes".COMPUTATIONAL MATERIALS SCIENCE 62(2012):87-92.
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