论文部分内容阅读
We have studied the electronic transport behaviors of dithienylethenes-based polymer between two metal surfaces using nonequilibrium Greens functions combined with density functional theory.The present computational results show that the polymers with closed and open configuration really demonstrate switching behavior which confirms the experimental observation.It is also found that the switching behavior depends on the electronic properties of the two configurations of polymer instead of the contact modes.The on-off ratios of conductance between the closed and open configurations reach up to two orders of magnitude.