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arXiv · 1701.06395

Multi-scale approach for strain-engineering of phosphorene

Daniel Midtvedt·Caio H. Lewenkopf·Alexander Croy
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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.

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Daniel Midtvedt, Caio H. Lewenkopf, Alexander Croy. 2017-01-23. Multi-scale approach for strain-engineering of phosphorene. https://doi.org/10.1088/1361-648x%2Faa66d4

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