| CONDENSED MATTER: ELECTRONIC STRUCTURE, ELECTRICAL, MAGNETIC, AND OPTICAL PROPERTIES |
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Self-Consistent Study of Conjugated Aromatic Molecular Transistors |
WANG Jing1, LIANG Yun-Ye1, CHEN Hao1, WANG Peng2, R. Note3, H. Mizuseki3, Y. Kawazoe3 |
| 1Department of Physics, Fudan University, Shanghai 200433 2High-end computing center, Fudan University, Shanghai 200433 3Institute for Materials Research, Tohoku University, Sendai 980-8577, Japan |
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| Cite this article: |
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WANG Jing, LIANG Yun-Ye, CHEN Hao et al 2010 Chin. Phys. Lett. 27 067303 |
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Abstract 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.
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| Keywords:
73.23.-b
85.65.+h
31.15.Ar
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Received: 20 January 2010
Published: 25 May 2010
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