Krompiewski S
Institute of Molecular Physics, Polish Academy of Sciences, ul. M. Smoluchowskiego 17, 60179 Poznań, Poland.
Nanotechnology. 2014 Nov 21;25(46):465201. doi: 10.1088/0957-4484/25/46/465201. Epub 2014 Oct 30.
It is shown that apart from well-known factors, like temperature, substrate, and edge reconstruction effects, also the presence of external contacts is destructive for the formation of magnetic moments at the edges of graphene nanoribbons (GNRs). The edge magnetism gradually decreases when graphene/electrode interfaces become more and more transparent for electrons. In addition to the graphene/electrode coupling strength, the aspect ratio parameter, i.e. a width/length ratio of the GNR, is also crucial for the suppression of edge magnetism. The present theory uses a tight-binding method, based on the mean-field Hubbard Hamiltonian for π electrons, and the Green's function technique within the Landauer-Büttiker approach.
结果表明,除了温度、衬底和边缘重构效应等众所周知的因素外,外部接触的存在也会破坏石墨烯纳米带(GNRs)边缘磁矩的形成。当石墨烯/电极界面对于电子变得越来越透明时,边缘磁性会逐渐减弱。除了石墨烯/电极耦合强度外,纵横比参数,即GNR的宽度/长度比,对于抑制边缘磁性也至关重要。本理论采用紧束缚方法,基于π电子的平均场哈伯德哈密顿量,以及朗道尔-布蒂克尔方法中的格林函数技术。