2 papers
cond-mat.mtrl-sci2018
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…
cond-mat.mtrl-sci2018
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…