Electronic transmission of three-terminal pyrene molecular bridge
Wang Li-Guang(王利光)a)†, Zhang Xiu-Mei(张秀梅)a), Terence Kin Shun Wongb), Katsunori Tagamic), and Masaru Tsukadac)
aSchool of Science, Jiangnan University, Wuxi 214122, China; bSchool of Electrical and Electronic Engineering, Nanyang Technological University, 639798, Singapore; cNano Technology Research Centre, Waseda University, Tokyo 162-00041, Japan
Abstract This paper investigates theoretically the electronic transmission spectra of the three terminal pyrene molecular bridge and the quantum current distribution on each bond by the tight-binding model based on nonequilibrium Green's function and the quantum current density approach, in which one $\pi$ molecular orbital is taken into account per carbon atom when the energy levels and HOMO-LUMO gap are obtained. The transmission spectra show that the electronic transmission of the three terminal pyrene molecular bridge depends obviously on the incident electronic energy and the pyrene eigenenergy. The symmetrical and oscillation properties of the transmission spectra are illustrated. A novel plus-minus energy switching function is found. The quantum current distribution shows that the loop currents inside the pyrene are induced, and some bond currents are much larger than the input and the output currents. The reasons why the loop currents and the larger bond currents are induced are the phase difference of the atomic orbits and the degeneracy of the molecular orbits. The calculations illustrate that the quantum current distributions are in good agreement with Kirchhoff quantum current conservation law.
Received: 21 July 2008
Revised: 06 August 2008
Accepted manuscript online:
PACS:
85.65.+h
(Molecular electronic devices)
Fund: Project supported by the State Key
Development Program for Basic Research of China (973 Project, Grant
No 2003CB716204), the International Corporation Project of the
Education Department (Grant No 20060360563), the Key Laboratory of
Advanced Photonic and
Cite this article:
Wang Li-Guang(王利光), Zhang Xiu-Mei(张秀梅), Terence Kin Shun Wong, Katsunori Tagami, and Masaru Tsukada Electronic transmission of three-terminal pyrene molecular bridge 2009 Chin. Phys. B 18 501
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