Study of non-centrosymmetric to centrosymmetric structural transformation in Zr-doped Barium Titanate

• Published in: Phase transitions 2020-04, Vol.93 (4), p.351-360
• Main Authors: Islam, Md Sahanoor, Ghosh, Jiten
• Format: Article
• Language: English
• Subjects: Barium; Barium titanate; Barium titanates; Cubic lattice; Distribution functions; Electrical properties; Orthorhombic phase; pair distribution function; phase transformation; Phase transitions; Photoelectrons; Raman; Raman spectra; Room temperature; Spectrum analysis; X ray photoelectron spectroscopy; X-ray diffraction; XRD; Zirconium
• ISSN: 0141-1594; 1029-0338
• DOI: 10.1080/01411594.2020.1731509

Non-centrosymmetric to centrosymmetric structural transformation of BaZr x Ti 1−x O 3 (x = 0, 0.05, 0.1, 0.3) as prepared by soilid state reaction was investigated from X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), pair distribution function (PDF) and Raman spectra. Tetragonal BaTiO 3 transformed to orthorhombic phase for lower Zr concentration (x = 0.05) and changed to tetragonal to cubic with increasing Zr concentration at room temperature. Dielectric constant changed with the addition of Zr due to the change in local atomic arrangement and achieved highest value 1444 for mole fraction x = 0.1. Change occurred in the intensity for the first Ti-O pair in the PDF pattern due to the incorporation Zr in barium titanate lattice. An extra shoulder due to addition of Zr for the cubic phase of BZT has appeared at 5.64 Å in the PDF pattern. Structural and electrical properties of BZT were influenced by additions of Zr due to the change in local atomic arrangement.