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Ferroelectric phase transition of BaTiO3 single crystal based on a tenth order Landau-Devonshire potential

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Abstract In order to develop the Landau-Devonshire (LD) potential of the pervoskites BaTiO 3 , the Gibbs free energy of BaTiO 3 single crystal has been expanded up to 10th-order… Click to show full abstract

Abstract In order to develop the Landau-Devonshire (LD) potential of the pervoskites BaTiO 3 , the Gibbs free energy of BaTiO 3 single crystal has been expanded up to 10th-order polynomial. The coefficients of the LD formulation have been phenomenologically derived based on the proposed LD model. The dependences of the spontaneous polarization, the dielectric property, and the ferroelectric hysteresis loop on temperature have been investigated systematically by using our proposed 10th-order LD model. The phenomenological thermodynamic potential near the Curie point and the three dimensional non-convex free energy landscapes corresponding to the 4th, 6th, 8th, and the 10th-order model have been analyzed numerically. Based on the proposed LD potential and coefficients, the predicted results for BaTiO 3 crystal have also been compared with experimental results as well as theoretically results reported by other researchers.

Keywords: order; single crystal; devonshire potential; crystal; landau devonshire

Journal Title: Computational Materials Science
Year Published: 2017

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