First-Principles Theory of Spatial Dispersion: Dynamical Quadrupoles and Flexoelectricity

Density-functional perturbation theory (DFPT) is nowadays the method of choice for the accurate computation of linear and nonlinear-response properties of materials from first principles. A notable advantage of DFPT over alternative approaches is the possibility of treating incommensurate lattice di...

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Bibliographic Details
Main Authors: Miquel Royo, Massimiliano Stengel
Format: Article
Language:English
Published: American Physical Society 2019-06-01
Series:Physical Review X
Online Access:http://doi.org/10.1103/PhysRevX.9.021050