Fig. 5: Evolution of polar structures and connection with properties. | Nature Communications

Fig. 5: Evolution of polar structures and connection with properties.

From: Emergence of high piezoelectricity from competing local polar order-disorder in relaxor ferroelectrics

Fig. 5

a Evolution of polar structures obtained from refined 3D atomic configurations, showing the 3D distribution of the length and direction (cosθ) of unit-cell polar vectors. θ refers to the angle between the unit-cell polar vector and the [001]p. b Composition-dependent dielectric relaxation ΔTmax and introduced local random field variance in phase field simulations. The ΔTmax is the peak shift of dielectric maximum from 1 kHz to 1000 kHz in temperature dependent-dielectric spectrum. c Estimated piezoelectric coefficient d33 from phase field simulations. d The Landau energy profiles, e random field distribution (ERF), and f simulated domain structures of representative compositions of 20PT, 33PT and 40PT. The effect of polar disorder is characterized by the local random field variance. A larger random field corresponds to higher degree of polar disorder.

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