2 papers
cond-mat.mtrl-sci2025
Thermodynamics-Inspired High-Entropy Oxide Synthesis
Saeed S. I. Almishal, Matthew Furst, Yueze Tan +8
High-entropy oxide (HEO) thermodynamics transcend temperature-centric approaches, spanning a multidimensional landscape where oxygen chemical potential plays a decisive role. Here,…
cond-mat.mtrl-sci2024
Performance of Exchange-Correlation Approximations to Density-Functional Theory for Rare-earth Oxides
Mary Kathleen Caucci, Jacob T. Sivak, Saeed S. I. Almishal +4
Rare-earth oxides (REOs) are an important class of materials owing to their unique properties, including high ionic conductivities, large dielectric constants, and elevated melting…