Electronic transport properties of lead nanowires**Project supported by the National Natural Science Foundation of China (Grant No. 51671114) and the Special Funding in the Project of the Taishan Scholar Construction Engineering and National Key Research Program of China (Grant No. 2016YFB0300501).

Abstract

Lead nanowire occupies a very important position in an electronic device. In this study, a genetic algorithm (GA) method has been used to simulate the Pb nanowire. The result shows that Pb nanowires are a multishell cylinder. Each shell consists of atomic rows wound up helically side by side. The quantum electron transport properties of these structures are calculated based on the non-equilibrium Green function (NEGF) combined with the density functional theory (DFT), which indicate that electronic transport ability increases gradually with the atomic number increase. In addition, the thickest nanowire shows excellent electron transport performance. It possesses great transmission at the Fermi level due to the strongest delocalization of the electronic state. The results provide valuable information on the relationship between the transport properties of nanowires and their diameter.