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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.
Source PublicationCOMPUTATIONAL MATERIALS SCIENCE
2012-09-01
Volume62Pages:87-92
ISSN0927-0256
AbstractUsing 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.
KeywordSilicon Monatomic Chain Size-selective Encapsulation Electronic Transport Properties Negative Differential Resistance Transmission Spectrum Field-effect Transistors Single Nanowires Simulations
Subject Area物理力学
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Indexed BySCI ; EI
Language英语
WOS IDWOS:000306106000014
Funding OrganizationThis 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).
DepartmentLNM纳/微系统力学与物理力学
Classification二类/Q2
Citation statistics
Document Type期刊论文
Identifierhttp://dspace.imech.ac.cn/handle/311007/46713
Collection非线性力学国家重点实验室
Corresponding AuthorZhao, YP; Chinese Acad Sci, Inst Mech, State Key Lab Nonlinear Mech, Beijing 100190, Peoples R China.
Recommended Citation
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.
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.
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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