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

ContextInthis study, the electronic transport of (6, 3) two side-closedsingle-walled boron nitride nanotubes ((6, 3) TSC-SWBNNTs)located between two electrodes of (5, 5) conductive carbon nanotubesis investigated. Introducingcarbon impurities instead of nitrogen and boron atoms in differentlocations of two side-closed (6, 3) SWBNNTswould change the transmission spectrum and reduce the gap. As thebias voltage increases, the peaks ofthe transmission spectrum become sharper and narrower. Substitutingcarbon impurities instead of nitrogen atomsleads to larger currents than substituting carbon impurities insteadof boron. For the carbon impurity instead ofN atoms, the current in the center is observed to be larger thancurrents on the left and right sides. In addition, negativeresistance can be seen in current-voltagediagrams, which are used in the construction of high-speed electronicswitches in electrical circuits.MethodDueto the larger number of atoms, the study of structures by the commonapproach is time-consuming and some timesimpossible. Hence, in this research, the Quantum ATK simulationsoftware is used to investigate the characteristics of electronictransport. For this purpose, the Slater-Koster method and thetight-closure approximation are used. In this method, thenon-equilibrium Green function (NEGF) approach is employed.