title: Multi-scale approach for strain-engineering of phosphorene.
abstract: 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.
authors.affiliation: Department of Physics, Chalmers University of Technology, Gothenburg, Sweden.
authors.forename: Daniel
authors.initials: D
authors.lastname: Midtvedt
authors.forename: Caio H
authors.initials: CH
authors.lastname: Lewenkopf
authors.forename: Alexander
authors.initials: A
authors.lastname: Croy