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Ultrathin Films of Ferroelectric Solid Solutions under a Residual Depolarizing Field

Ultrathin Films of Ferroelectric Solid Solutions under a Residual Depolarizing Field

A first-principles-derived approach is developed to study the effects of uncompensated depolarizing electric fields on the properties of Pb(Zr,Ti)O$_3$ ultrathin films for different mechanical boundary conditions. A rich variety of ferroelectric phases and polarization patterns is found, depending on the interplay between strain and amount of screening of surface charges. …