Negative differential resistance and switching behavior in single wall bamboo-shape carbon nanotubes based molecular device: A first-principles study nanoscale device design

By using the first-principles density functional theory and a nonequilibrium Green's function, the quantum electronic transport properties of single wall bamboo-shape carbon nanotubes created by partitioning in C(12,0) zigzag single wall carbon nanotubes based molecular devices are investigated. In the present work, we designed and simulated C(12,0) bamboo-shape single wall carbon nanotubes (BS-SWCNTs) by connecting the coronene (C24H12) molecule as interface of two pure zigzag C(12,0) nanotubes by chemical bonds and interface regions, thus obtained six pentagons and six hexagons on both sides of the tube. We observed that this BS-SWCNTs device exhibits the negative differential resistance (NDR) with certain bias voltage 1.1 V. The current voltage characteristics of the BS-SWCNTs show a switching behavior at bias region 1.1-1.6 V and very high peak-to-valley current ratio of the order of 10(6). A detailed analysis of the origin of NDR was carried out with transmission pathways, MPSH with various external bias voltages. (C) 2017 Elsevier Ltd. All rights reserved.