Dynamic flexoelectric effect in perovskites from first-principles calculations

Using the dynamical matrix of a crystal obtained from ab initio calculations, we have evaluated the strength of the dynamic flexoelectric effect and found it comparable to that of the static bulk flexoelectric effect, in agreement with earlier order-of-magnitude estimates. We also propose a method o...

Full description

Saved in:
Bibliographic Details
Published in:Physical review. B, Condensed matter and materials physics Condensed matter and materials physics, 2015-08, Vol.92 (5), Article 054104
Main Authors: Kvasov, Alexander, Tagantsev, Alexander K.
Format: Article
Language:English
Subjects:
Condensed matter
Crystals
Dynamic tests
Dynamics
Mathematical analysis
Phonons
Simulation
Spectra
Citations: Items that this one cites
Items that cite this one
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:Using the dynamical matrix of a crystal obtained from ab initio calculations, we have evaluated the strength of the dynamic flexoelectric effect and found it comparable to that of the static bulk flexoelectric effect, in agreement with earlier order-of-magnitude estimates. We also propose a method of evaluation of these effects directly from the simulated phonon spectra. This method can also be applied to the analysis of the experimental phonon spectra, currently the only one enabling experimental characterization of the static bulk flexoelectric effect.
ISSN:1098-0121
1550-235X
DOI:10.1103/PhysRevB.92.054104