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Gate-induced switching and negative differential resistance in a single-molecule transistor: Emergence of fixed and shifting states with molecular length

J. Chem. Phys. 127, 024901 (2007); doi:10.1063/1.2748047

Published 9 July 2007

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A. A. Farajian
Department of Mechanical Engineering and Materials Science, Rice University, Houston, Texas 77005

R. V. Belosludov, H. Mizuseki, and Y. Kawazoe
Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan

T. Hashizume
Advanced Research Laboratory, Hitachi Ltd., Hatoyama, Saitama 350-0395, Japan

B. I. Yakobson
Department of Mechanical Engineering and Materials Science, Rice University, Houston, Texas 77005
The quantum transport of a gated polythiophene nanodevice is analyzed using density functional theory and nonequilibrium Green's function approach. For this typical molecular field effect transistor, we prove the existence of two main features of electronic components, i.e., negative differential resistance and good switching. Ab initio based explanations of these features are provided by distinguishing fixed and shifting conducting states, which are shown to arise from the interface and functional molecule, respectively. The results show that proper functional molecules can be used in conjunction with metallic electrodes to achieve basic electronics functionality at molecular length scales. ©2007 American Institute of Physics
History: Received 16 November 2006; accepted 16 May 2007; published 9 July 2007
Permalink: http://link.aip.org/link/?JCPSA6/127/024901/1
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KEYWORDS and PACS

Keywords
PACS
  • 85.65.+h
    Molecular electronic devices
  • YEAR: 2007

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0021-9606 (print)   1089-7690 (online)
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