# Multi-scale approach for strain-engineering of phosphorene

## TL;DR

This paper introduces a multi-scale theoretical framework combining mechanical and electronic models to analyze strain effects in phosphorene, enabling large-scale device simulations such as exciton funnels.

## Contribution

It presents a novel integrated model that links macroscopic strain to microscopic electronic properties in phosphorene, suitable for large-scale device analysis.

## Key findings

- Successfully modeled inhomogeneous deformation in phosphorene
- Predicted electronic property changes under strain
- Demonstrated potential for exciton funnel applications

## 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 an inhomogeneously deformed phosphorene drum, which may be used as an exciton funnel.