Role of GdO addition in the structural stability of cubic Gd2O3 at high pressures: Determination of the equation of states of GdO and Gd2O3

Abstract

We report a high-pressure X-ray diffraction study on bixbyite-type Gd2O3 showing that the addition of 4.3 mol% of GdO increases the pressure stability of Gd2O3. In our experiments the onset of the phase transition to the previously reported high-pressure trigonal polymorph was detected upon compression at 15.1(1) GPa, with the low- and high-pressure phases coexisting up to 20 GPa. The observed transition is reversible upon decompression. Our finding extends the high-pressure stability of the low-pressure phase, which in previous studies was reported to undergo phase transitions from 2.6 to 13.4 GPa. This is important for many of the technological applications of Gd2O3 including gas turbine engines, light water reactors, and nuclear waste immobilization. Additionally, we find that GdO undergoes an irreversible amorphization beyond 15.1(1) GPa. Finally, accurate equations of state were determined from experiments and density-functional theory calculations. These calculations also provided information on elastic constants and moduli. A systematic discussion of the bulk modulus and its pressure derivative is also presented.