The influence of single carbon atom impurity on the electronic transport of (6, 3) two side-closed single-walled boron nitride nanotubes.

CONTEXT

In this study, the electronic transport of (6, 3) two side-closed single-walled boron nitride nanotubes ((6, 3) TSC-SWBNNTs) located between two electrodes of (5, 5) conductive carbon nanotubes is investigated. Introducing carbon impurities instead of nitrogen and boron atoms in different locations of two side-closed (6, 3) SWBNNTs would change the transmission spectrum and reduce the gap. As the bias voltage increases, the peaks of the transmission spectrum become sharper and narrower. Substituting carbon impurities instead of nitrogen atoms leads to larger currents than substituting carbon impurities instead of boron. For the carbon impurity instead of N atoms, the current in the center is observed to be larger than currents on the left and right sides. In addition, negative resistance can be seen in current-voltage diagrams, which are used in the construction of high-speed electronic switches in electrical circuits.

METHOD

Due to the larger number of atoms, the study of structures by the common approach is time-consuming and some times impossible. Hence, in this research, the Quantum ATK simulation software is used to investigate the characteristics of electronic transport. For this purpose, the Slater-Koster method and the tight-closure approximation are used. In this method, the non-equilibrium Green function (NEGF) approach is employed.