Christensen Rasmus Bjerregaard, Lü Jing-Tao, Hedegård Per, Brandbyge Mads
Center for Nanostructured Graphene (CNG), Department of Micro- and Nanotechnology, Technical University of Denmark, Ørsteds Plads, Bldg. 345E, DK-2800 Kongens Lyngby, Denmark.
School of Physics, Huazhong University of Science and Technology, 430074 Wuhan, P. R. China.
Beilstein J Nanotechnol. 2016 Jan 20;7:68-74. doi: 10.3762/bjnano.7.8. eCollection 2016.
We employ a semi-classical Langevin approach to study current-induced atomic dynamics in a partially dehydrogenated armchair graphene nanoribbon. All parameters are obtained from density functional theory. The dehydrogenated carbon dimers behave as effective impurities, whose motion decouples from the rest of carbon atoms. The electrical current can couple the dimer motion in a coherent fashion. The coupling, which is mediated by nonconservative and pseudo-magnetic current-induced forces, change the atomic dynamics, and thereby show their signature in this simple system. We study the atomic dynamics and current-induced vibrational instabilities using a simplified eigen-mode analysis. Our study illustrates how armchair nanoribbons can serve as a possible testbed for probing the current-induced forces.
我们采用半经典朗之万方法来研究部分脱氢扶手椅型石墨烯纳米带中电流诱导的原子动力学。所有参数均从密度泛函理论中获得。脱氢的碳二聚体表现为有效的杂质,其运动与其余碳原子的运动解耦。电流可以以相干方式耦合二聚体的运动。这种耦合由非保守和赝磁电流诱导力介导,改变了原子动力学,从而在这个简单系统中显示出它们的特征。我们使用简化的本征模分析来研究原子动力学和电流诱导的振动不稳定性。我们的研究说明了扶手椅型纳米带如何能够作为探测电流诱导力的一个可能的试验平台。