An ab initio realization of the transport in molecular junctions with armchair carbon-nanotube leads

We perform an ab initio study for the system of molecular junctions with armchair carbon-nanotube leads. The transport behavior of the different 2-polyene junction cases shows remarkable agreement with the expected interference effect we predict with tight binding model which greatly simplified and omitted realistic parameters. Moreover, the slight disagreements between the ab initio study and the analytic study could be well understood with the parameter tests in the tight binding model.

*This work is suppoted by the National Science Council of Taiwan under grant no. NSC 97-2112-M003-008-MY2

To cite this abstract, use the following reference: http://meetings.aps.org/link/BAPS.2010.MAR.Z20.4

About APS

The American Physical Society (APS) is a non-profit membership organization working to advance the knowledge of physics.

Headquarters 1 Physics Ellipse, College Park, MD 20740-3844 (301) 209-3200
Editorial Office 100 Motor Pkwy, Suite 110, Hauppauge, NY 11788 (631) 591-4000
Office of Public Affairs 529 14th St NW, Suite 1050, Washington, D.C. 20045-2001 (202) 662-8700

APS -APS March Meeting 2010 - Event - An ab initio realization of the transport in molecu

Bulletin of the American Physical Society

APS March Meeting 2010

Volume 55, Number 2

Monday–Friday, March 15–19, 2010; Portland, Oregon

Session Z20: Carbon Nanotubes: Fundamentals and Applications

Abstract: Z20.00004 : An ab initio realization of the transport in molecular junctions with armchair carbon-nanotube leads*

Authors:

Follow Us

Engage

My APS

Information for

About APS