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cond-mat.mtrl-sci2020
Transversal flexoelectric coefficients for fifty select atomic monolayers from first principles
Shashikant Kumar, David Codony, Irene Arias +1
We calculate transversal flexoelectric coefficients along the principal directions for fifty select atomic monolayers using ab initio Density Functional Theory (DFT). Specifically,…
cond-mat.mtrl-sci2020
Transversal flexoelectric coefficient for nanostructures at finite deformations from first principles
David Codony, Irene Arias, Phanish Suryanarayana
We present a novel formulation for calculating the transversal flexoelectric coefficient of nanostructures at finite deformations from first principles. Specifically, we introduce…