A combined powder x-ray and neutron diffraction studies on (1-x) NaNbO3-x Na0.50Bi0.50TiO3 solid solution.

Solid solution of sodium niobate and sodium bismuth titanate [(1-x)NaNbO 3 -x(Na 0.5 Bi 0.5)TiO 3 : xNBT)] is an important lead-free eco-friendly piezo-ceramic material. In the present work, we report an investigation of the phase stabilities of this solid solution using powder x-ray and neutron diffraction techniques for the entire range of composition. We observed the disappearance of certain peaks and changes in the main perovskite peaks in the powder diffraction data suggesting structural phase transitions with composition. Rietveld analysis of combined x-ray and neutron powder diffraction data is performed to obtain single correct structural model wherever possible. Detailed analyses of powder diffraction data for composition range 0.0 ≤ x ​< ​0.15 revealed the coexistence of orthorhombic ( P bma) and ( P mc2 1) phases and an orthorhombic phase with space group P bnm and cell dimensions √2a p ​× ​√2 b p ​× ​6 c p gets stabilized for 0.15 ≤ x ​< ​0.20. On further increasing NBT content in NaNbO 3 matrix (0.20 ≤ x ​< ​0.60), a mixed orthorhombic ( P bnm) phase and tetragonal ( P 4bm) phase is confirmed by Rietveld refinement. Further, in the composition range 0.60 ≤ x ​≤ ​0.80, the tetragonal ( P 4bm) phase coexists with the ferroelectric rhombohedral ( R 3c) phase and finally for composition x ​> ​0.80, it completely transforms to rhombohedral ( R 3c) phase. The presence of phase coexistence in various composition ranges indicates the first order nature of these phase transitions. A detailed structural phase diagram of the system is presented at ambient conditions. We compositionally designed (1-x) NaNbO 3 - x(Na 0.5 0Bi 0.50)TiO 3 solid solutions and investigated their phase stabilities using combined powder x-ray and neutron diffraction technique. Detailed analyses of powder diffraction data for composition range 0.0 ≤ x ​< ​0.15 revealed the coexistence of orthorhombic ( P bma) and ( P mc2 1) phases whereas an orthorhombic phase with space group P bnm and cell dimensions √2a p ​× ​√2 b p ​× ​6 c p gets stabilized for 0.15 ≤ x ​< ​0.20. On further increasing NBT content in NaNbO 3 matrix (0.20 < x ​< ​0.60), a mixture of orthorhombic ( P bnm) phase and tetragonal ( P 4bm) phase is found by Rietveld refinement. Further, in the composition range 0.60≤ x ​≤ ​0.80, the tetragonal ( P 4bm) phase coexists with the ferroelectric rhombohedral ( R 3c) phase and finally for composition x ​> ​0.80, it completely transforms to rhombohedral ( R 3c) phase. The presence of phase coexistence in various composition ranges indicates the first order nature of these phase transitions. A detailed structural phase diagram of the system is presented at ambient conditions. [Display omitted] • We compositionally designed (1-x) NaNbO 3 - x(Na 0.5 Bi 0.5) TiO 3 solid solutions and investigated their phase stabilities using combined powder x-ray and neutron diffraction technique. • We observed the disappearance of certain peaks and changes in the main perovskite peaks in the powder diffraction data suggesting structural phase transitions with composition. • Rietveld analysis of combined x-ray and neutron powder diffraction data is performed to obtain single correct structural model wherever possible. • Detailed analyses of powder diffraction data suggest phase stabilities and phase-coexistences in various composition ranges. [ABSTRACT FROM AUTHOR]