Physics – Condensed Matter – Materials Science
Scientific paper
2004-03-18
Physics
Condensed Matter
Materials Science
REVTeX, 7 pages, 2 figures, fig 2 in color
Scientific paper
10.1103/PhysRevLett.93.196104
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. Examples include triclinic phases, monoclinic states with in-plane and/or out-of-plane components of the polarization, homogeneous and inhomogeneous tetragonal states, as well as, peculiar laminar nanodomains.
Bellaiche L.
Fu Huaxiang
Kornev Igor
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