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J Chem Phys. 2007 Oct 28;127(16):169901. doi: 10.1063/1.2798751.

Corrected Article: "ac response of a carbon chain under a finite frequency bias" [J. Chem. Phys. 127, 104701 (2007)].

The Journal of chemical physics

Yunjin Yu, Bin Wang, Yadong Wei


  1. Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, People's Republic of China.

PMID: 17979399 DOI: 10.1063/1.2798751


Based on nonequilibrium Green's function approach and density functional theory, we report first principles investigation on ac transport of four carbon atomic chain connected by two semi-infinite aluminum leads, Al-C(4)-Al. For small alternating external bias voltage, we expanded nonequilibrium Green's function to the first order in the external voltage and calculated the dynamical conductance. The suppression of the dynamic conductance was obtained near the resonant level, while far away from the resonance, the large enhancement of the dynamic conductance was observed. These behaviors can be understood well under the wide-band limit. By changing the coupling distance between the carbon atom and the aluminum leads, the system could change its transport response between capacitivelike and inductivelike.

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