Electronic transport properties of an (8,0) carbon/boron nitride nanotube heterojunction

doi:10.1088/1674-1056/19/3/037104

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Abstract The structure of a heterojunction made up of an (8, 0) carbon nanotube and an (8, 0) boron nitride nanotube is achieved through geometry optimization implemented in the CASTEP package. Based on the optimized geometry, the model of the heterojunction is established. Its transport properties are investigated by combining the nonequilibrium Green's function with density functional theory. Results show that both the lowest unoccupied molecular orbital and the highest occupied molecular orbital mainly locate on the carbon nanotube section. In the current--voltage characteristic of the heterojunction, a rectification feature is revealed.

Key words： nanotube heterojunction nonequilibrium Green's function transport properties

Received: 15 March 2009 Published: 15 March 2010

PACS:	73.63.Fg	(Nanotubes)
	73.22.-f	(Electronic structure of nanoscale materials and related systems)
	73.40.Kp	(III-V semiconductor-to-semiconductor contacts, p-n junctions, and heterojunctions)
	71.15.Mb	(Density functional theory, local density approximation, gradient and other corrections)
	73.40.Ei	(Rectification)

Fund:Project supported by the Chinese Defence Advance Research Program of Science and Technology, China (Grant No.~9140A08060407DZ0103).

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	Liu Hong-Xia
	Zhang He-Ming
	Song Jiu-Xu
	Zhang Zhi-Yong

Cite this article:

Liu Hong-Xia,Zhang He-Ming,Song Jiu-Xu et al . Electronic transport properties of an (8,0) carbon/boron nitride nanotube heterojunction[J]. Chin. Phys. B, 2010, 19(3):037104.

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http://cpb.iphy.ac.cn/EN/10.1088/1674-1056/19/3/037104 OR http://cpb.iphy.ac.cn/EN/Y2010/V19/I3/37104

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