Analysis of Crystal Structure the BaTiO\(_3\) and ZrO\(_2\)-doped (Bi\({_0.}{_5}\)Na\({_0.}{_5}\))TiO\(_3\) with X-ray Diffraction Techniques Using the Rietveld Method

Abstract

The crystal structures of a compound of (Bi_0.5Na_0.5)TiO₃ (BNT) doped with BaTiO₃ (BT) and ZrO₂ were analyzed. There were three types of samples prepared: (Bi_0.5Na_0.5)_0.93Ba_0.05Zr_0.02TiO₃ (BNBZT1), (Bi_0.5Na_0.5)_0.90Ba_0.05Zr_0.05 (BNBZT2) and (Bi_0.5Na_0.5)_0.85Ba_0.05Zr_0.10TiO₃ (BNBZT3). The samples were made utilizing Bi₂O₃, Na₂CO₃, BaCO₃, TiO_2, and ZrO₂ powders as basic materials in a solid-state reaction technique. The basic components were combined for 3 hours in an agate mortar. A 3,000 psi hydraulic press was used to turn a precursor into pellets. Pellets were calcined for an hour at 300°C, then sintered for 5 hours at 1000°C. X-ray diffraction techniques employing the Rietveld method and Raman spectroscopy were used to characterize the materials. The results of the research revealed that BNT doped BT and ZrO₂ had a tetragonal structure, space group I4/mcm, Volume I, No.140 with lattice parameters a = b = 5.519 (2) Å, c = 7.808 (4) Å (BNBZT1), a = b = 5.512 (1) Å, c = 7.798 (5) Å (BNBZT2) and a = b = 5.513 (1) Å, c = 7.800 (2) Å (BNBZT3). For these three samples, Ba²⁺ and Zr⁴⁺ cations entered into the BNT crystal system by partial substitution of cations (Bi, Na)²⁺. But there were also some Ti³⁺ cations in the BNBZT3 replaced by Zr⁴⁺. Ionic configuration (compound) of BNBZT1, BNBZT2 and BNBZT3 are respectively (Bi_0,45Na_0,48)_0,93Ba_0,05Zr_0,01TiO_3, (Bi_0,41Na_0,49)_0,90Ba_0,05Zr_0,03TiO₃ and (Bi_0,42Na_0,43)_0,85Ba_0,05Zr_0,01(Ti_0,97Zr_0,03)O₃.