Current-voltage characteristics of molecular devices at low bias

Yun Xing Liao, Hao Chen, R. Note, H. Mizuseki, Y. Kawazoe

Research output: Contribution to journalArticlepeer-review


We use density functional theory and the Green function formalism with charge energy effect included in the self-consistent calculation of the I-V characteristics of a single benzene ring with an appendage of cf3, and identify some interesting properties of the I-V characteristics at low bias. The molecule picks up a fractional charge at zero bias, then the additional fractional charge produces a barrier on the junction of the molecule and contacts to perturb current flow on the molecule. This phenomenon may be useful for the design of future molecular devices.

Original languageEnglish
Pages (from-to)1247-1250
Number of pages4
JournalChinese Physics Letters
Issue number7
Publication statusPublished - 2004 Jul


Dive into the research topics of 'Current-voltage characteristics of molecular devices at low bias'. Together they form a unique fingerprint.

Cite this