Transversal flexoelectric coefficient for nanostructures at finite deformations from first principles

Abstract

We present a novel formulation for calculating the transversal flexoelectric coefficient of nanostructures at finite deformations from first principles. Specifically, we introduce the concept of \emph{radial polarization} to make the coefficient a well-defined quantity for uniform bending deformations. We use the framework to calculate the flexoelectric coefficient for group IV atomic monolayers using density functional theory. We find that graphene's coefficient is significantly larger than previously reported, with a charge transfer mechanism that differs from other members of its group.

arXiv comment5 pages, 3 figures, 1 table

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Cited by in corpus (11)

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• Curvature-Controlled Band Alignment Transitions in 1D van der Waals Heterostructures
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• Torsional strain engineering of transition metal dichalcogenide nanotubes: An ab initio study
• On the bending of rectangular atomic monolayers along different directions: an ab initio study
• Elastic properties of Janus transition metal dichalcogenide nanotubes from first principles
• Torsional moduli of transition metal dichalcogenide nanotubes from first principles
• Ab initio study on the electromechanical response of Janus transition metal dihalide nanotubes
• Propagation of elastic waves in a flexomagnetic solid
• Generalization of Stoney's equation for flexoelectric thin films on elastic substrates