Multi-scale approach for strain-engineering of phosphorene

A multi-scale approach for the theoretical description of deformed phosphorene is presented. This approach combines a recently developed valence-force model [1] to relate macroscopic strain to microscopic displacements of atoms and a tight-binding model [2] with distancedependent 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 an inhomogeneously deformed phosphorene drum, which may be used as an exciton funnel 3