Transversal flexoelectric coefficient for nanostructures at finite deformations from first principles

Author (s): Codony, D.; Arias, I.; Suryanarayana, P.
Journal: Physical Review Materials

Volume: 5
Date: 2021

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.

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Bibtex:

@article{2021-PRM-CAP, 
title = "Transversal flexoelectric coefficient for nanostructures at finite deformations from first principles", 
journal = "Physical Review Materials", 
volume = "5", 
pages = "L030801", 
year = "2021", 
doi = "https://doi.org/10.1103/PhysRevMaterials.5.L030801", 
author = "D. Codony and I. Arias and P. Suryanarayana}