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A quite unusual diffuse scattering phenomenology was observed in the single-crystal X-ray diffraction pattern of cubic perovskite BMT ($mathrm{BaMg}_{1/3}mathrm{Ta}_{2/3}mathrm{O}_3$). The intensity of the scattering is parametrized as a set of cube- like objects located at the centers of reciprocal space unit cells, resembling very broad and cubic-shaped (1/2,1/2,1/2)-satellites. BMT belongs to perovskites of formula AB$_{1/3}$B$_{2/3}$O$_{3}$ (A=Mg, B$=$Ta, B$=$Mg). The cubes of the intensity can be attributed to the partial correlations of the occupancies of the B site. The pair correlation function is the Fourier transform of the diffuse scattering intensity and the latters idealized form yields the unusual property of a power-law correlation decay with distance. Up to now this is observed only in a few exotic instances of magnetic order or nematic crystals. Therefore it cannot be classified as a short-range order phenomenon, as in most situations originating diffuse scattering. A Monte-Carlo search in configuration space yielded solutions that reproduce faithfully the observed diffuse scattering. Analysis of the results in terms of the electrostatic energy and the entropy point to this phase of BMT as a metastable state, kinetically locked, which could be the equilibrium state just below the melting point.
260 - A. Cervellino 2009
The relaxor ferroelectric PbMg_1/3Ta_2/3O_3 was studied by single-crystal neutron and synchrotron x-ray diffraction and its detailed atomic structure has been modeled in terms of static Pb-displacements that lead to the formation of polar nanoregions . Similar to the other members of the Pb-based relaxor family like PbMg_1/3Nb_2/3O_3 or PbZn_1/3Nb_2/3O_3 the diffuse scattering in the [H,0,0]/[0,K,0] scattering plane has a butterfly-shape around the (h,0,0) Bragg reflections and is transverse to the scattering vector for (h,h,0) peaks. In the [H,H,0]/[0,0,L] plane the diffuse scattering is elongated along the <1,1,2> directions and is transverse to the scattering vector for (h,h,h) reflections. We find that a model consisting of correlated Pb-displacements along the <1,1,1>-directions reproduces the main features of the diffuse scattering in PbMg_1/3Ta_2/3O_3 adequately when the correlation lengths between the Pb-ion displacement vectors are longest along the <1,1,1> and <1,-1,0> and shortest along <1,1,-2> directions.
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