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Spin-dependent electron transport along a molecular wire in a metal (probe)-vacuum-molecule-metal system: the effect of the size and the shape of the probe tip

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4 Author(s)
He, Haiying ; Dept. of Phys., Michigan Technol. Univ., Houghton, MI, USA ; Pati, R. ; Pandey, R. ; Karna, S.P.

We present the results of a first-principles quantum mechanical study of spin-dependent electron transport along a molecular wire investigating the effects of the size and the shape of the probe tip on the tunneling current. A periodic, gradient-corrected density functional method together with Bardeen, Tersoff and Hamann formalism is employed in this study. The electron tunneling through a self-assembled monolayer of benzene 1,4-dithiol on the Ni(111) substrate is found to be strongly dependent on both shape and size of the probe tip.

Published in:

Nanotechnology, 2005. 5th IEEE Conference on

Date of Conference:

11-15 July 2005