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Multi-scale approach for strain-engineering of phosphorene

Daniel Midtvedt (Institutionen för fysik, Biologisk fysik (Chalmers)) ; C. H. Lewenkopf ; A. Croy
Journal of Physics-Condensed Matter (0953-8984). Vol. 29 (2017), 18, p. Article nr 185702 .
[Artikel, refereegranskad vetenskaplig]

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.

Nyckelord: phosphorene, strain-engineering, tight-binding model

Denna post skapades 2017-05-05.
CPL Pubid: 249123


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Institutionen för fysik, Biologisk fysik (Chalmers)


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