5 papers
Compositional and Oxygen-Vacancy Effects on Phase Stability and Electronic Properties in Ceria-Based Lanthanide High-Entropy Oxides
Mary Kathleen Caucci, Billy E. Yang, Gerald R. Bejger +5
Cerium-based lanthanide high-entropy oxides (LN-HEOs) are promising candidates for solid-state electrolyte (mass transport) applications due to their ability to accommodate high co…
Resolving Structural Transitions in Lanthanide High-Entropy Oxides
Billy E. Yang, Saeed S. I. Almishal, Sai Venkata Gayathri Ayyagari +6
We report a temperature-composition phase diagram for the chemically disordered and CeO2-LA2O3 high entropy oxides (HEOs), where LA denotes equimolar Y, La, Sm, and Pr, delineating…
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,…
Chemically-Disordered Transparent Conductive Perovskites with High Crystalline Fidelity
Saeed S. I. Almishal, Pat Kezer, Yasuyuki Iwabuchi +16
This manuscript presents a working model linking chemical disorder and transport properties in correlated-electron perovskites with high-entropy formulations and a framework to act…
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…