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Electrostatic engineering of strained ferroelectric perovskites from first-principles
Claudio Cazorla, Massimiliano Stengel
Design of novel artificial materials based on ferroelectric perovskites relies on the basic principles of electrostatic coupling and in-plane lattice matching. These rules state th…
Electrical phase diagram of bulk BiFeO
Massimiliano Stengel, Jorge Íñiguez
We study the electrical behavior of multiferroic BiFeO by means of first-principles calculations. We do so by constraining a specific component of the electric displacement fie…
From flexoelectricity to absolute deformation potentials: The case of SrTiO
Massimiliano Stengel
Based on recent developments in the first-principles theory of flexoelectricity, we generalize the concept of absolute deformation potential to arbitrary nonpiezoelectric insulator…
First-principles theory of flexoelectricity
Massimiliano Stengel, David Vanderbilt
In this Chapter we provide an overview of the current first-principles perspective on flexoelectric effects in crystalline solids. We base our theoretical formalism on the long-wav…