TITLE

Electrode metal dependence of the rectifying performance for molecular devices: A density functional study

AUTHOR(S)
Deng, X. Q.; Zhou, J. C.; Zhang, Z. H.; Tang, G. P.; Qiu, M.
PUB. DATE
September 2009
SOURCE
Applied Physics Letters;9/7/2009, Vol. 95 Issue 10, p103113
SOURCE TYPE
Academic Journal
DOC. TYPE
Article
ABSTRACT
Carrying out theoretical calculations using the nonequilibrium Green’s function method combined with the density functional theory, the transport properties of the terphenyl molecule connected to the two Y (Y=Li, Al, or Au) metal electrodes are investigated. The results show that the electrode metals have a distinct influence on rectifying performance of such devices. For the Au electrode system, we can observe a best rectifying performance, next for the Al electrode system, and the rectifying effect can be nearly neglected for the Li electrode system. Our findings suggest that the rectifying characteristics are intimately related to electrode materials.
ACCESSION #
44150654

 

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