First-Principles Study of the Ferroelectric Properties of SrTaO${}_2$N/SrTiO${}_3$ Interfaces

Ruby C. Bastidas Briceño, Victoria I. Fernández, Eitel Peltzer y Blancá +1

First-principles calculations based on density-functional theory in the pseudo-potential approach have been performed for the total energy, crystal structure and cell polarization…