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000047426 084__ $$2WoS$$aPhysics, Applied
000047426 1001_ $$0P:(DE-HGF)0$$aZembilgotov, G.$$b0
000047426 245__ $$aPhase states of nanocrystalline ferroelectric ceramics and their dielectric properties
000047426 260__ $$aMelville, NY$$bAmerican Institute of Physics$$c2005
000047426 300__ $$a114315
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000047426 440_0 $$03051$$aJournal of Applied Physics$$v97$$x0021-8979
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000047426 520__ $$aUsing a nonlinear thermodynamic theory, we describe equilibrium polarization states and the macroscopic dielectric response of nanocrystalline ferroelectric ceramics with single-domain grains. The elastic clamping of individual crystallites by the surrounding material is explicitly taken into account via the introduction of a specific thermodynamic potential. Aggregate material properties are calculated with the aid of an iterative procedure based on the method of effective medium. The numerical calculations, performed for unpolarized BaTiO3 and Pb(Zr1-xTix)O-3 ceramics, demonstrate that the equilibrium phase states of nanocrystalline ceramics may differ drastically from those of single crystals and coarse-grained materials. Remarkably, the theory predicts the coexistence of rhombohedral and tetragonal crystallites in nanocrystalline Pb(Zr1-xTix)O-3 ceramics in a wide range of compositions and temperatures. For BaTiO3 ceramics, a mixture of rhombohedral and orthorhombic crystallites is found to be the energetically most favorable state at room temperature. The calculations also show that the dielectric properties of nanocrystalline ferroelectric ceramics may be very different from those of conventional materials due to the elastic clamping of single-domain crystallites. (C) 2005 American Institute of Physics.
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000047426 7001_ $$0P:(DE-HGF)0$$aPertsev, N. A.$$b1
000047426 7001_ $$0P:(DE-Juel1)131022$$aWaser, R.$$b2$$uFZJ
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