Transversal flexoelectric coefficient for nanostructures at finite deformations from first principles
Source abstract
Abstract
We present a formulation for calculating the transversal flexoelectric coefficient of nanostructures at finite deformations from first principles. Specifically, we introduce the concept of 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.
Source: openalex_inverted_index · Quality: baseline
Research context
OpenAlex topics: Nonlocal and gradient elasticity in micro/nano structures · Composite Material Mechanics · Graphene research and applications
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
Affiliations
Laboratori de Càlcul Numèric, Universitat Politècnica de Catalunya, Barcelona, E-08034, Spain
Centre Internacional de Mètodes Numèrics en Enginyeria (CIMNE), 08034 Barcelona, Spain
College of Engineering, Georgia Institute of Technology, Atlanta, Georgia 30332, USA
Funding
Generalitat de Catalunya · European Research Council · Ministerio de Economía y Competitividad · National Science Foundation
References (46)
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