34 citations · 48 across the 6 of their papers we have counts for
6 papers
Ionic Diffusion Properties of Rare-Earth High-Entropy Oxides from a Machine-Learned Interatomic Potential
Mary Kathleen Caucci, Billy E. Yang, Saeed S. I. Almishal +2
Rare-earth high-entropy oxides (RE-HEOs) have emerged as a promising class of functional ceramics for solid-state electrochemical applications due to their chemical complexity, str…
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…
Lanthanide L-Edge Spectroscopy of High-Entropy Oxides: Insights into Valence and Phase Stability
Gerald R. Bejger, Mary Kathleen Caucci, Saeed S. I. Almishal +4
High-entropy oxides (HEOs) are a promising class of multicomponent ceramics with tunable structural and electronic properties. In this study, we investigate the local electronic st…
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…
Discovering High-Entropy Oxides with a Machine-Learning Interatomic Potential
Jacob T. Sivak, Saeed S. I. Almishal, Mary K. Caucci +7
High-entropy materials shift the traditional materials discovery paradigm to one that leverages disorder, enabling access to unique chemistries unreachable through enthalpy alone.…