We study the current through conjugated aromatic molecular transistors modulated by a transverse field. The self-consistent calculation is realized with density function theory through the standard quantum chemistry software Gaussian03 and the non-equilibrium Green's function formalism. The calculated I-V curves controlled by the transverse field present the characteristics of different organic molecular transistors, the transverse field effect of which is improved by the substitutions of nitrogen atoms or fluorine atoms. On the other hand, the asymmetry of molecular configurations to the axis connecting two sulfur atoms is in favor of realizing the transverse field modulation. Suitably designed conjugated aromatic molecular transistors possess different I-V characteristics, some of them are similar to those of metal-oxide-semiconductor field-effect transistors (MOSFET). Some of the calculated molecular devices may work as elements in graphene electronics. Our results present the richness and flexibility of molecular transistors, which describe the colorful prospect of next generation devices.
We study the current through conjugated aromatic molecular transistors modulated by a transverse field. The self-consistent calculation is realized with density function theory through the standard quantum chemistry software Gaussian03 and the non-equilibrium Green's function formalism. The calculated I-V curves controlled by the transverse field present the characteristics of different organic molecular transistors, the transverse field effect of which is improved by the substitutions of nitrogen atoms or fluorine atoms. On the other hand, the asymmetry of molecular configurations to the axis connecting two sulfur atoms is in favor of realizing the transverse field modulation. Suitably designed conjugated aromatic molecular transistors possess different I-V characteristics, some of them are similar to those of metal-oxide-semiconductor field-effect transistors (MOSFET). Some of the calculated molecular devices may work as elements in graphene electronics. Our results present the richness and flexibility of molecular transistors, which describe the colorful prospect of next generation devices.
WANG Jing;LIANG Yun-Ye;CHEN Hao;WANG Peng;R. Note;H. Mizuseki;Y. Kawazoe. Self-Consistent Study of Conjugated Aromatic Molecular Transistors[J]. 中国物理快报, 2010, 27(6): 67303-067303.
WANG Jing, LIANG Yun-Ye, CHEN Hao, WANG Peng, R. Note, H. Mizuseki, Y. Kawazoe. Self-Consistent Study of Conjugated Aromatic Molecular Transistors. Chin. Phys. Lett., 2010, 27(6): 67303-067303.
[1] Wada Y et al 2000 Jpn. J. Appl. Phys. 39 3835 [2] Aviram A and Ratner M A 1974 Chem. Phys. Lett. 29 277 [3] Chen F et al 2007 Annu. Rev. Phys. Chem. 58 535 [4] Song H, Kim Y, Jang Y H, Jeong H, Reed M A and Lee T 2009 Nature 462 1039 [5] Xiao K, Liu Y, Qi T, Zhang W, Wang F, Gao J, Qiu W, Ma Y et al 2005 J. Am. Chem. Soc. 127 13281 [6] Xu B, Xiao X, Yang X, Zang L and Tao N J 2005 J. Am. Chem. Soc. 127 2386 [7] Tao N J 2006 Nature Nanotechnol. 1 173 [8] Di Ventra M, Pantelides S T and Lang N D 2000 Phys. Rev. Lett. 84 979 [9] Yang Z, Lang N D and Di Ventra M 2003 Appl. Phys. Lett. 82 1938 [10] Jiang F, Zhou Y X, Chen H, Note R, Mizuseki H and Kawazoe Y 2005 J. Chem. Phys. 125 084710 [11] Frisch M J, Trucks G W, Schlegel H et al 2004 GAUSSIAN 03, Revision D 01 (Wallingford, CT: Gaussian, Inc.) [12] Jiang F, Zhou Y X, Chen H, Note R, Mizuseki H and Kawazoe Y 2005 Phys. Rev. B 72 155408 [13] Datta S 1995 Electronic Transport in Mesoscopic Systems (Cambridge: Cambridge University) [14] Datta S 2000 Superlattices Microstruct 28 253 [15] Becke A D 1993 J. Chem. Phys. 98 5648 [16] Perdew J P and Wang Y 1992 Phys. Rev. B 45 13244 [17] Wadt W and Hay P 1985 J. Chem. Phys. 82 284 [18] Elbing M, Ochs R, Koentopp M, Fischer M, von Hanisch C, Weigend F, Evers F, Weber H B and Mayor M 2005 Proc. Natl. Acad. Sci. USA 102 8815 [19] Ponomarenko L A, Schedin F, Katsnelson M I, Yang R, Hill E W, Novoselov K S and Geim A K 2008 Science 320 356