In-situ thermal phase transition and structural investigation of ferroelectric tetragonal barium titanate nanopowders with pseudo-cubic phase

Optimization and miniaturization of existing electronic devices require the development of advanced nanostructured materials with high phase and structural purity. Over the past decade, barium titanate (BaTiO3) has attracted considerable attention due to its outstanding ferroelectric and dielectric properties. The present study involved the investigation of the phase transition and structural stability of tetragonal BaTiO3 nanopowders with pseudo-cubic phase using an in-situ high resolution and high temperature X-ray diffraction method. Under ambient conditions, the coexistence the tetragonal and cubic phases with weight fractions of 75.7% and 24.3%, respectively, was determined in BaTiO3. In the temperature range of 25 °C-300 °C, phase boundaries of BaTiO3 (180 nm in size) exhibiting several phases were detected. The phase transformation behavior, relative crystal phase content, lattice parameters, crystallite size, and tetragonality of the BaTiO3 nanopowders were established by the Rietveld refinement method at the onset temperature from 25 °C to 300 °C. Up to 150 °C, the nanopowders exhibited a complete transition of the cubic phase. Additionally, a complete tetragonal to cubic transformation was accomplished by a decrease of tetragonality at 125 °C and an increase in the crystallite size at 300 °C.