Midtvedt Daniel, Lewenkopf Caio H, Croy Alexander
Department of Physics, Chalmers University of Technology, Gothenburg, Sweden.
J Phys Condens Matter. 2017 May 10;29(18):185702. doi: 10.1088/1361-648X/aa66d4. Epub 2017 Mar 15.
A multi-scale approach for the theoretical description of deformed phosphorene is presented. This approach combines a valence-force model to relate macroscopic strain to microscopic displacements of atoms and a tight-binding model with distance-dependent hopping parameters to obtain electronic properties. The resulting self-consistent electromechanical model is suitable for large-scale modeling of phosphorene devices. We demonstrate this for the case of inhomogeneously deformed phosphorene drum, which may be used as an exciton funnel.
本文提出了一种用于理论描述变形磷烯的多尺度方法。该方法结合了一个价力模型，以将宏观应变与原子的微观位移联系起来，以及一个具有距离依赖跳跃参数的紧束缚模型，以获得电子性质。由此产生的自洽机电模型适用于磷烯器件的大规模建模。我们以非均匀变形的磷烯鼓为例进行了演示，该磷烯鼓可用作激子漏斗。
