Experimental Observation of Possible Pressure-Induced Phase Transformation in GdAlO<sub>3</sub> Perovskite Using In Situ X-ray Diffraction

oleh: Maria Mora, Andriy Durygin, Vadym Drozd, Shanece Esdaille, Jiuhua Chen, Surendra Saxena, Xue Liang, Leonid Vasylechko

Format: Article
Diterbitkan: MDPI AG 2023-07-01

Deskripsi

Gadolinium aluminate perovskite (GdAlO<sub>3</sub>) was studied at high pressures of up to 23 GPa in a diamond anvil cell (DAC) using monochromatic synchrotron X-ray powder diffraction. Evidence of a pressure-induced phase transformation from orthorhombic (<i>Pbnm</i>) to rhombohedral (<i>R</i><inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><mover accent="true"><mrow><mn>3</mn></mrow><mo>¯</mo></mover></mrow></semantics></math></inline-formula><i>c</i>) structure was observed at 21 GPa and further proved by DFT calculations. Before phase transition, the volumetric ratio of polyhedron A and B (i.e., V<sub>A</sub>/V<sub>B</sub> for ABX<sub>3</sub> general notation) in the <i>Pbnm</i> phase continuously increased towards the ideal value of five at the transition, indicating a pressure-induced decrease in the structural distortion as opposed to the trend in many other orthorhombic perovskites (e.g., CaSnO<sub>3</sub>, CaGeO<sub>3</sub>, MgSiO<sub>3</sub> and NaMgF<sub>3</sub>). Pressure–volume data of the <i>Pbnm</i> phase were fitted to the third-order Birch–Murnaghan equation of state yielding a bulk modulus (<i>K<sub>o</sub></i>) of 216 ± 7 GPa with a pressure derivative of the bulk modulus (<inline-formula><math xmlns="http://www.w3.org/1998/Math/MathML" display="inline"><semantics><mrow><msubsup><mrow><mi>K</mi></mrow><mrow><mi>o</mi></mrow><mrow><mo>′</mo></mrow></msubsup></mrow></semantics></math></inline-formula>) of 5.8 GPa (fixed). This work confirms the pressure-induced phase transformation from orthorhombic to a higher symmetry structure previously predicted in GdAlO<sub>3</sub> perovskite.