Microscopic insight into molecular orbital gating
Tóm tắt
The molecular orbital gating in the 1,8-octanedithiol (ODT) and 1,4-benzenedithiol (BDT) molecules is investigated using first principles methods. The calculated I–V characteristics as a function of applied gate voltage for the σ-saturated ODT molecule are found to depend on the microscopic description of the conduction channels. On the other hand, an orbital gating in the BDT-based molecular device system, within the practical limit, is not seen. We find that a non-zero dipole moment along the gate-direction is indispensable in order to obtain the gate-field induced transistor effect, which BDT does not qualify for, due to its symmetric planar structure.
Tài liệu tham khảo
C R Kagan et al. Nano. Lett. 3 119 (2003)
Z K Keane, J W Ciszek, J M Tour and D Natelson Nano. Lett. 6 1518 (2006)
A W Ghosh, T Rakshit and S Datta Nano. Lett. 4 565 (2004)
O Hod, R Baer and E Rabani J. Am. Chem. Soc. 127 1648 (2005)
A Aviram and M A Ratner Chem. Phys. Lett. 29 277 (1974)
R Pati and S P Karna Phys. Rev. B 69 155419 (2004)
J M Mativetsky et al. J. Am. Chem. Soc. 130 9192 (2008)
I D Perez et al. Nat. Chem. 1 635 (2009)
P S Cornaglia, D R Grempel and H Ness Phys. Rev. B 71, 075320 (2005)
M Di Ventra, S T Pantelides and N D Lang Appl. Phys. Lett. 76 3448 (2000)
H He, R Pandey and S P Karna Nanotechnology 19 505203 (2008)
S Mukhopadhyay, R Pandey and S P Karna J. Phys. Chem. C 116 4840 (2012)
H Park et al. Nature 407 57 (2000)
J E Green et al. Nature 445 414 (2007)
D Q Andrews, G C Solomon, R P Van Duyne and M A Ratner J. Am. Chem. Soc. 130 17309 (2008)
H Song et al. Nature 462 1039 (2009)
W D Wheeler and Y Dahnovsky J. Chem. Phys. 129 154112 (2008)
C T Lee, W T Yang and R G Parr Phys. Rev. B 37 785 (1988)
A D Becke J. Chem. Phys. 98 5648 (1993)
M J Frisch et al (Gaussian Inc.: Pittsburg PA) (2003)
R H M Smit, C Untiedt and J M van Ruitenbeek Nanotechnology 15 S472 (2004)
W B Davis, M A Ratner and M R Wasielewski J. Am. Chem. Soc. 123 7877 (2001)