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Effect of Epitaxial Strain on the Spontaneous Polarization of Thin Film Ferroelectrics

Effect of Epitaxial Strain on the Spontaneous Polarization of Thin Film Ferroelectrics

We investigate the variation of the spontaneous ferroelectric polarization with epitaxial strain for BaTiO$_3$, PbTiO$_3$, LiNbO$_3$, and BiFeO$_3$ using first principles calculations. We find that while the strain dependence of the polarization is very strong in the simple perovskite systems BaTiO$_3$ and PbTiO$_3$ it is only weak in LiNbO$_3$ and …