Spatial distribution of the B-site inhomogeneity in an as-grown Pb(In1/2Nb1/2)O3 single crystal studied by a complementary use of x-ray and neutron scatterings

Structural properties of as-grown Pb(In1/2Nb1/2)O3 (PIN) single crystals at room temperature (RT) were investigated by x-ray and neutron scattering techniques, taking much account of the difference in the penetration depth and spatial resolution of x-rays and those of neutrons. A strong diffuse scattering was observed by x-ray while h/4k/40 superlattice reflections were found by neutron, indicating a relaxor state in the outer-layer of the crystal and an antiferroelectric (AFE) state in the bulk. The phonon dispersion was measured for the first time for the PIN series. Two transverse optic (TO1 and TO2) modes were clarified near the zone center though neither water-fall behavior nor folding of phonon branches was confirmed. We have thus concluded that a major part of the as-grown PIN crystal at RT is ferroelectric (FE). These results imply that the B-site chemical ordering, i.e., inhomogeneity, which controls the structural properties of PIN, is unevenly distributed throughout the crystal. We speculate that small AFE grains coexist with the FE matrix while the outer-layer is in a relaxor state in the as-grown PIN. (author)