Yu Yunjin, Wang Bin, Wei Yadong
Key Laboratory of Materials Physics, Institute of Solid State Physics, Chinese Academy of Sciences, Hefei 230031, People's Republic of China.
J Chem Phys. 2007 Sep 14;127(10):104701. doi: 10.1063/1.2759913.
Based on nonequilibrium Green's function approach and density functional theory, we report first principles investigation on ac transport of four carbon atom 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 giant enhancement of the dynamic conductance was also observed. These behaviors can be well understood under the wide-band limit. By changing the coupling distance between the carbon atom and aluminum leads, the system could change its transport response between capacitivelike and inductivelike.
