CROSS-DISCIPLINARY PHYSICS AND RELATED AREAS OF SCIENCE AND TECHNOLOGY |
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Two Possible Configurations for Silver-C60-Silver Molecular Devices and Their Conductance Characteristics |
TIAN Guang-Jun, SU Wen-Yong |
Department of Physics, Beijing Institute of Technology, Beijing 100081Department of Theoretical Chemistry, Royal Institute of Technology, AlbaNova S-10691, Stockholm, Sweden |
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Cite this article: |
TIAN Guang-Jun, SU Wen-Yong 2009 Chin. Phys. Lett. 26 068501 |
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Abstract Coherent electronic transport properties of silver-C60-silver molecular junctions in different configurations are studied using hybrid density function theory. The experimentally measured current flows of C60 molecules adsorbed on the silver surface are well reproduced by theoretical calculations. It is found that the current-voltage characteristics of the molecular junctions depend strongly on the configurations of the junctions. Transmission spectra combined with density of states can help us to understand in depth the transport properties. Different kinds of electrode construction are also discussed. With the help of the calculation, two possible configurations of silver-C60-silver molecular junctions are suggested.
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Keywords:
85.65.+h
73.63.-b
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Received: 09 December 2008
Published: 01 June 2009
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PACS: |
85.65.+h
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(Molecular electronic devices)
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73.63.-b
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(Electronic transport in nanoscale materials and structures)
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[1] Harneit W, Boehme C, Schaefer S, Huebener K, FostiropoulosK and Lips K 2007 Phys. Rev. Lett. 98 216601 [2] Grobis M, Lu X and Crommie M F 2002 Phys. Rev. B 66 161408 [3] Wang L L and Cheng H P 2004 Phys. Rev. B 69165417 [4] Menech M D, Saalmann U and Garcia M E 2006 Phys.Rev. B 73 155407 [5] Pai W W and Hsu C L 2003 Phys. Rev. B 68121403(R) [6] Zhang X Q, He W, Zhao A D, Li H N, Chen L, Pai W W, Hou JG, Loy M M T, Yang J L and Xiao X D 2007 Phys. Rev. B 75 235444 [7] Cepek C, Sancrotti M, Greber T and Osterwalder J 2000 Surf. Sci. 454 467 [8] Cepek C, Vobornik I, Goldoni A, Magnano E, Selvaggi G,Kr\"oger J, Panaccione G, Rossi G and Sancrotti M 2001 Phys.Rev. Lett. 86 3100 [9] Cepek C, Fasel R, Sancrotti M, Greber T and Osterwalder J2001 Phys. Rev. B 63 125406 [10] Hsu C L and Pai W W 2003 Phys. Rev. B 68245414 [11] Brouet V, Yang W L, Zhou X J, Choi H J, Louie S G, CohenM L, Goldoni A, Parmigiani F, Hussain Z and Shen Z X 2004 Phys.Rev. Lett. 93 197601 Brouet V, Yang W L, Zhou X J, Choi H J, Louie S G, Cohen ML, Goldoni A, Parmigiani F, Hussain Z and Shen Z X 2005 Phys.Rev. Lett. 95 099903 [12] Nitzan A and Ratner M A 2003 Science 300 1384 [13] Hohenberg P and Kohn W 1964 Phys. Rev. 136B864 [14] Su W Y, Jiang J and Luo Y 2005 Chem. Phys. Lett. 412 406 [15] Su W Y, Jiang J, Lu W and Luo Y 2006 Nano Lett. 6 2091 [16] Wang C K, Fu Y and Luo Y 2001 Phys. Chem. Chem.Phys. 3 5017 [17] Luo Y, Wang C K and Fu Y 2002 J. Chem. Phys. 117 10283 [18] Wang C K and Luo Y 2003 J. Chem. Phys. 1194923 [19] Mujica V, Kemp M, Ratner M A 1994 J. Chem. Phys. 101 6849 [20] Samanta M P, Tian W, Datta S, Henderson J I, Kubiak C P1996 Phys. Rev. B 53 R7626 [21] Tian W, Datta S, Hong S, Henderson J I, Kubiak C P 1998 J. Chem. Phys. 109 2874 [22] Zahid F, Ghosh A W, Paulsson M, Polizzi E and Datta S2004 Phys. Rev. B 70 245317 [23] Jiang J, Lu W and Luo Y 2004 Chem. Phys. Lett. 400 336 [24] Frisch M J et al 2003 $G_{AUSSIAN 03$, Revision A.1.(Pittsburgh, PA: Gaussian) [25] Jiang J and Luo Y $Q_{CME-V1.0$ (Quantum Chemistry forMolecular Electronics) (Sweden: Royal Institute of Technology) [26] Lu X H, Grobis M, Khoo K H, Louie S G and Crommie M F2004 Phys. Rev. B 70 115418 |
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