Thermal expansion and phase transformation in the rare earth di-titanate (R2Ti2O7) system

Acta Crystallogr B Struct Sci Cryst Eng Mater. 2021 Jun 1;77(Pt 3):397-407. doi: 10.1107/S2052520621004479. Epub 2021 May 20.

Abstract

Characterization of the thermal expansion in the rare earth di-titanates is important for their use in high-temperature structural and dielectric applications. Powder samples of the rare earth di-titanates R2Ti2O7 (or R2O3·2TiO2), where R = La, Pr, Nd, Sm, Gd, Dy, Er, Yb, Y, which crystallize in either the monoclinic or cubic phases, were synthesized for the first time by the solution-based steric entrapment method. The three-dimensional thermal expansions of these polycrystalline powder samples were measured by in situ synchrotron powder diffraction from 25°C to 1600°C in air, nearly 600°C higher than other in situ thermal expansion studies. The high temperatures in synchrotron experiments were achieved with a quadrupole lamp furnace. Neutron powder diffraction measured the monoclinic phases from 25°C to 1150°C. The La2Ti2O7 member of the rare earth di-titanates undergoes a monoclinic to orthorhombic displacive transition on heating, as shown by synchrotron diffraction in air at 885°C (864°C-904°C) and neutron diffraction at 874°C (841°C-894°C).

Keywords: La2Ti2O7; X-ray diffraction; high-temperature; neutron diffraction; phase transition; rare earth di-titanate; thermal expansion.