Probing the Local Site Disorder and Distortion in Pyrochlore High-Entropy Oxides
Bo Jiang, Craig A. Bridges, Raymond R. Unocic, Krishna Chaitanya Pitike, Valentino R. Cooper, Yuanpeng Zhang, De-Ye Lin, Katharine Page
Abstract
octahedron and small degree of Ti chemical short-range order (SRO) on the subnanometer scale. Calculations suggest that this may be intrinsic, energetically favored SRO rather than due to sample processing. These results offer an important demonstration that the engineered variation of participating ions in HEOs, even among those with very similar radii, provides richly diverse opportunities to control local order/disorder motifs-and therefore materials properties for future designs. This work also hints at the exquisite level of detail that may be needed in computational and experimental data analysis to guide structure-property tuning in the emerging HEO materials class.