35 citations · 146 across the 12 of their papers we have counts for
4 papers · 1 filter
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.…
Untangling individual cation roles in rock salt high-entropy oxides
Saeed S. I. Almishal, Jacob T. Sivak, George N. Kotsonis +10
We unravel the distinct roles each cation plays in phase evolution, stability, and properties within Mg1/5Co1/5Ni1/5Cu1/5Zn1/5O high-entropy oxide (HEO) by integrating experimental…
Order evolution from a high-entropy matrix: understanding and predicting paths to low temperature equilibrium
Saeed S. I. Almishal, Leixin Miao, Yueze Tan +9
Interest in high-entropy inorganic compounds originates from their ability to stabilize cations and anions in local environments that rarely occur at standard temperature and press…