An ab initio study on negative differential resistance in pyrrole trimer molecular device

作者：Xia Caijuan^*; Liu Hanchen; Wang Qiuping

来源：International Conference on Advances in Materials and Manufacturing Processes, 2010-11-06 to 2010-11-08.

DOI：10.4028/www.scientific.net/AMR.152-153.931

• Negative differential resistance
• Nonequilibrium Green's function
• Electronic transport
• Density functional theory

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.

• 出版日期2011
• 单位西安工程大学