most citedFirst-principles calculations for ferroelectrics at constant polarization using generalized Wannier functions

1 citations · 1 across the 2 of their papers we have counts for

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2 papers

cond-mat.mtrl-sci2020★ 1 cited

First-principles calculations for ferroelectrics at constant polarization using generalized Wannier functions

Pawel Lenarczyk, Mathieu Luisier

Localized Wannier functions provide an efficient and intuitive framework to compute electric polarization from first-principles. They can also be used to represent the electronic s…

cond-mat.mtrl-sci2019

First-principles approach to electric polarization and dielectric constant calculations using generalized Wannier functions

Pawel Lenarczyk, Mathieu Luisier

We describe a method to calculate the electronic properties of an insulator under an applied electric field. It is based on the minimization of an electric enthalpy functional with…