Ferroelectricity and Antiferroelectricity in BaTiO_3

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概要

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• Minimum-energy calculations are reported for two types of antiferroelectric arrays in BaTiO_3, alternating planes perpendicular to [100] (AP(100)) and alternating planes perpendicular to [110] (AP(110)). The non-linearity of the oxygen polarizability is taken into account. The energies of these arrays are compared to the energy of the ferroelectric array as a function of α_0, the coefficient of the oxygen-polarizability tensor (α_0 is taken as the cubic-phase, isotropic oxygen polarizability). It is found that for α_0<1.1Å^3, neither the polar nor anti-polar arrays are stable relative to the non-poiar state; for 1.10<α_0<1.32Å^3, the AP(100) array is most stable; for 1.32<α_0<2.31Å^3, the ferroelectric array is most stable (in the actual BaTiO_3 crystal, α_0 = 2.16Å^3); and for α_0>2.31Å^3, the AP(110) array is most stable.

• 社団法人日本物理学会の論文
• 1967-08-05

著者

• Lawless W.

  Interdisciplinary Materials Research Center Rensselaer Polytechnic Institute:corning Research Labora

• Lawless W.N.

  Interdisciplinary Materials Research Center, Rensselaer Polytechnic Institute:Corning Research Laboratory:(Present)Corning Research Laboratory

関連論文

• Ferroelectricity and Antiferroelectricity in BaTiO_3

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