Independent Channel Method for Nanoribbons with Dislocation and Fano Defects

Abstract

In 2D materials, the dislocation is a common structural defect at finite temperatures as its appearance reduces the free energy by rising entropy, whereas many clusters of atoms or molecules, called as Fano defects, can be adsorbed on their extensive surface. Herein, the electronic transport in a long square nanoribbon with planar dislocation and Fano defects is studied within the tight‐binding formalism including nearest‐ and next‐nearest‐neighbor hopping integrals. To this purpose, a new convolution method is developed to transform the nanoribbon into a set of independent channels, where a real‐space renormalization procedure is applied. Despite the almost unaltered densities of states, the ballistic transport of periodic nanoribbons is mostly destroyed by the introduction of such structural defects, except for several energies in the case of Fano defects, and dissimilar conductance spectra are found in these two analyzed cases.