Departamento de Física, Universidade Federal do Piauí, CEP 64049-550 Teresina, Piauí, Brazil.
ACS Nano. 2012 Jul 24;6(7):6483-91. doi: 10.1021/nn302259f. Epub 2012 Jul 3.
Graphitic nanowiggles (GNWs) are 1D systems with segmented graphitic nanoribbon GNR edges of varying chiralities. They are characterized by the presence of a number of possible different spin distributions along their edges and by electronic band-gaps that are highly sensitive to the details of their geometry. These two properties promote these experimentally observed carbon nanostructures as some of the most promising candidates for developing high-performance nanodevices. Here, we highlight this potential with a detailed understanding of the electronic processes leading to their unique spin-state dependent electronic quantum transport properties. The three classes of GNWs containing at least one zigzag edge (necessary to the observation of multiple-magnetic states) are considered in two distinct geometries: a perfectly periodic system and in a one-GNW-cell system sandwiched between two semi-infinite terminals made up of straight GNRs. The present calculations establish a number of elementary rules to relate fundamental electronic transport functionality, electronic energy, the system geometry, and spin state.
石墨纳米扭结（GNWs）是一种具有不同手性的分段石墨纳米带 GNR 边缘的 1D 系统。它们的特点是在其边缘上存在许多可能的不同自旋分布，并且其能带隙对其几何形状的细节非常敏感。这两个特性促使这些实验观察到的碳纳米结构成为开发高性能纳米器件的最有前途的候选者之一。在这里，我们通过详细了解导致其独特的自旋状态相关电子量子输运特性的电子过程来突出这一潜力。考虑了至少包含一个锯齿形边缘（观察到多个磁状态所必需的）的三类 GNWs，它们具有两种不同的几何形状：一个完全周期性的系统和一个由两个由直 GNR 组成的半无限终端夹在中间的一个 GNW 单元系统。本计算确立了一些基本规则，以将基本电子输运功能、电子能量、系统几何形状和自旋状态联系起来。
