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We use density functional theory within the generalized gradientapproximation to characterize the dielectric response of rare earth oxides:(La,Sc)2 O3 bixbyite, and LaScO3 perovskite. We focus on the role of strain onthe phonon contribution of the dielectric constant and find that, contrary tothe classical expectation based on the Clausius-Mossotti relation, tensilevolumetric strain and volume-conserving bi- axial strain on the order of +/-1%can lead to an increase in dielectric constant of up to 20%. The insight intothe atomic mechanisms responsible for these effects and the quantitativeresults in this paper can contribute to the development and understanding ofhigh-{\kappa} materials.

Strain enhancement of high-k dielectric response in (La/Sc)2 O3 and LaScO3 : an ab-initio study