Bismuth oxide kinetically stabilized by doping with a metastable structure of disordered fluorite ?-Bi2O3 has unique conductivity. Oxygen selective membranes at intermediate temperatures ~550?C, on the base cermet ?-Bi2O3/Ag, have highest potential for air separation and can be used to produce oxygen distributed multigeneration burning fossil carbon fuels. When searching optimal composition ?-B...

Automated generation of reasonable atomic-level interface models, for example, at a grain boundary, is often difficult task. The modeling algorithm elementary substances based on charge densities slab surfaces by Hinuma et al. [AIP Advances 11, 115020 (2021)] was applied to obtain Σ3 (111)/(111ˉ) and Σ5 (310)/(31ˉ0) models fluorite structure compounds reported in the ICSD database. found only o...

Fluorspar, also known as fluorite, is commonly used a raw material to produce fluorinated chemicals (e.g., hydrofluoric acid) or flux lower the melting temperature in steel production. In present study, process was developed fluorite concentrate from rare earth element (REE) bearing carbonatite. After an initial flotation step remove gangue minerals REE-bearing minerals, magnetic separation app...

Abstract The scale-free ferroelectric polarization of fluorite M O 2 ( = Hf, Zr) due to flat polar phonon bands are promising for nonvolatile memories. Defects also widely introduced improve the emergent ferroelectricity. However, their roles still not fully understood at atomic-level. Here, we report a significant effect point-defect-driven flattening with more modes and contribution in doped ...