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Independent Channel Method for Nanoribbons with Dislocation and Fano Defects
Physica Status Solidi (B) - Basic Solid State Physics ( IF 1.6 ) Pub Date : 2021-05-22 , DOI: 10.1002/pssb.202100095
Vicenta Sánchez 1 , Fernando Sánchez 2 , Chumin Wang 2
Affiliation  

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.

中文翻译:

具有位错和扇形缺陷的纳米带的独立通道法

在二维材料中,位错是有限温度下的常见结构缺陷,因为它的出现通过增加熵来降低自由能,而许多原子或分子簇(称为 Fano 缺陷)可以吸附在其广泛的表面上。在此,在紧束缚形式中研究了具有平面位错和 Fano 缺陷的长方形纳米带中的电子传输,包括最近和次最近邻跳跃积分。为此,开发了一种新的卷积方法,将纳米带转换为一组独立的通道,其中应用了实空间重整化程序。尽管状态密度几乎没有改变,但周期性纳米带的弹道传输大多被这种结构缺陷的引入所破坏,
更新日期:2021-05-22
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