Investigation of the structure and phase transitions in the novel A-site substituted distorted perovskite compound Na(0.5)Bi(0.5)TiO(3)
Abstract
Rietveld neutron powder profile analysis of the compound Na(0.5)Bi(0.5)TiO(3) (NBT) is reported over the temperature range 5-873 K. The sequence of phase transitions from the high-temperature prototypic cubic structure (above 813 K), to one of tetragonal (673-773 K) and then rhombohedral structures (5-528 K) has been established. Coexisting tetragonal/cubic (773-813 K) and rhombohedral/tetragonal (with an upper temperature limit of 145 K between 528 and 673 K) phases have also been observed. Refinements have revealed that the rhombohedral phase, space group R3c, with a(H) = 5.4887 (2), c(H) = 13.5048 (8) A, V = 352.33 (3) A(3), Z = 6 and D(x) = 5.99 Mg m(-3), exhibits an antiphase, a(-)a(-)a(-) oxygen tilt system, omega = 8.24 (4) degrees, with parallel cation displacements at room temperature. The tetragonal phase, space group P4bm, with a(T) = 5.5179 (2), c(T) = 3.9073 (2) A, V = 118.96 (1) A(3), Z = 2 and D(x) = 5.91 Mg m(-3), possesses an unusual combination of in-phase, a(0)a(0)c(+) oxygen octahedra tilts, omega = 3.06 (2) degrees, and antiparallel cation displacements along the polar axis. General trends of cation displacements and the various deviations of the octahedral network from the prototypic cubic perovskite struc...Continue Reading
Citations
Evolution of the tetragonal to rhombohedral transition in (1 - x)(Bi1/2Na1/2)TiO3 - xBaTiO3 (x ≤ 7%)
Lead-Free BNT-BT0.08 /CoFe2 O4 Core-Shell Nanostructures with Potential Multifunctional Applications
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