An Ab Initio Study on Negative Differential Resistance in Pyrrole Trimer Molecular Device
The electronic transport properties of pyrrole trimer sandwiched between two electrodes are investigated by using nonequilibrium Green’s function formalism combined first-principles density functional theory. Theoretical results show that the system manifests negative differential resistance (NDR) behavior. A detailed analysis of the origin of negative differential resistance has been given by observing the shift in transmission resonance peak across the bias window with varying bias voltage.
Zhengyi Jiang, Jingtao Han and Xianghua Liu
C. J. Xia et al., "An Ab Initio Study on Negative Differential Resistance in Pyrrole Trimer Molecular Device", Advanced Materials Research, Vols. 152-153, pp. 931-934, 2011