Monoclinic crystal structure of polycrystalline Na0.5Bi0.5TiO3

Elena  Aksel; Jennifer S.  Forrester; Jacob L.  Jones; Pam A.  Thomas; Katharine  Page; Matthew R.  Suchomel

doi:10.1063/1.3573826

ABSTRACT

Bismuth-based ferroelectric ceramics are currently under intense investigation for their potential as Pb-free alternatives to lead zirconate titanate-based piezoelectrics.

{Na}_{0.5} {Bi}_{0.5} {TiO}_{3}

(NBT), one of the widely studied compositions, has been assumed thus far to exhibit the rhombohedral space group

R 3 c

at room temperature. High-resolution powder x-ray diffraction patterns, however, reveal peak splitting in the room temperature phase that evidence the true structure as monoclinic with space group

C c

. This peak splitting and

C c

space group is only revealed in sintered powders; calcined powders are equally fit to an

R 3 c

model because microstructural contributions to peak broadening obscure the peak splitting.

E.A. acknowledges partial support for this work by the U.S. National Science Foundation (NSF) under Award No. DMR-0746902. J.F. and J.J. acknowledge support from the U.S. Department of the Army under Grant No. W911NF-09-1-0435. Use of the Advanced Photon Source was supported by the U. S. Department of Energy, Office of Science, Office of Basic Energy Sciences, under Contract No. DE-AC02-06CH11357. The authors thank Dr. Graham King for helpful discussions.

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Monoclinic crystal structure of polycrystalline ${Na}_{0.5} {Bi}_{0.5} {TiO}_{3}$

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