Abstract
Combined structural refinement of Bi3.5Ce0.5Ti3O12 was carried out by using both neutron and x-ray diffraction results based on the monoclinic space group of B1a1. Weighted R-factors were 6.29% and 8.17% for the neutron and x-ray diffraction data, respectively. The goodness-of-fit indicator (S) was 1.9 for all patterns. Lattice parameters were a = 5.4229(6) Å, b = 5.4038(6) Å and c = 32.8838(5) Å. The β angle was 90.10(1)°. Spontaneous polarization (Ps) calculated from the refinement results was 26.7 µC cm−2. The contribution of each atom on the spontaneous polarization was plotted and it was clearly shown that the distortion of TiO6 octahedrons was the key factor that determines spontaneous polarization.
Published Version
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