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Conference Proceedings
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Transport Properties through Individual Molecules by First Principles Calculations and Nonequilibrium Green’s Function Formalism
H. Mizuseki, R.V. Belosludov, A.A. Farajian, O.V. Pupysheva and Y. Kawazoe
Tohoku University, JP
Keywords:
first principles calculations
Abstract:
Our group has covered a wide range of molecular molecules which have potential application in molecular electronics using first-principles calculations and nonequilibrium Green’s function formalism; supramolecular enamel wires (covered wires) [1], connection between organic molecules and metal electrodes [2], self-assembled nanowires on silicon surface. Moreover we examine electronic transport properties through small molecules for a building block, such as benzene [3], bent carbon nanotube [4], DNA, porphyrin and ferrocene molecules and so on. In this presentation, we will present recent investigations related to nanoscale devices, using molecular orbital analysis.
[1] R. V. Belosludov, A. A. Farajian, H. Baba, H. Mizuseki, and Y. Kawazoe, Jpn. J. Appl. Phys., 44 (2005) 2823.
[2] C. Majumder, H. Mizuseki, and Y. Kawazoe, J. Chem. Phys., 118 (2003) 9809.
[3] F. Jiang, Y. X. Zhou, H. Chen, R. Note, H. Mizuseki, and Y. Kawazoe, Phys. Rev. B, 72 (2005) 155408.
[4] A. A. Farajian, B. I. Yakobson, H. Mizuseki, and Y. Kawazoe, Phys. Rev. B, 67 (2003) 205423.
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Nanotech 2006 Conference Program Abstract
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