60 citations · 115 across the 16 of their papers we have counts for
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Metric-wave approach to flexoelectricity within density-functional perturbation theory
Andrea Schiaffino, Cyrus E. Dreyer, David Vanderbilt +1
Within the framework of density functional perturbation theory (DFPT), we implement and test a novel "metric wave" response-function approach. It consists in the reformulation of a…
Quantum theory of mechanical deformations
Massimiliano Stengel, David Vanderbilt
We construct a general metric-tensor framework for treating inhomogenous adiabatic deformations applied to crystalline insulators, by deriving an effective time-dependent Schröding…
Macroscopic Polarization from Antiferrodistortive Cycloids in Ferroelastic SrTiO
Andrea Schiaffino, Massimiliano Stengel
Based on a first-principles based multiscale approach, we study the polarity (P) of ferroelastic twin walls in SrTiO. In addition to flexoelectricity, which was pointed out bef…
Current-density implementation for calculating flexoelectric coefficients
Cyrus E. Dreyer, Massimiliano Stengel, David Vanderbilt
The flexoelectric effect refers to polarization induced in an insulator when a strain gradient is applied. We have developed a first-principles methodology based on density-functio…