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 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 prope...

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Bibliographic Details
Published inJournal of physics. Condensed matter Vol. 29; no. 18; p. 185702
Main Authors Midtvedt, Daniel, Lewenkopf, Caio H, Croy, Alexander
Format Journal Article
LanguageEnglish
Published England IOP Publishing 10.05.2017
Subjects
phosphorene
strain-engineering
tight-binding model
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Summary: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.
Bibliography:JPCM-108777.R1
ObjectType-Article-1
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ISSN:0953-8984
1361-648X
1361-648X
DOI:10.1088/1361-648X/aa66d4