35 citations · 181 across the 20 of their papers we have counts for
6 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.…
Local structure maturation in high entropy oxide (Mg,Co,Ni,Cu,Zn)1-x(Cr,Mn)xO thin films
Gabriela E. Niculescu, Gerald R. Bejger, John P. Barber +8
High entropy oxides (HEO)s have garnered much interest due to their available high degree of tunability. Here, we study the local structure of (MgNiCuCoZn)0.167(MnCr)0.083O, a comp…
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…
Coexistence and interplay of two ferroelectric mechanisms in Zn1-xMgxO
Jonghee Yang, Anton V. Ievlev, Anna N. Morozovska +7
Ferroelectric materials promise exceptional attributes including low power dissipation, fast operational speeds, enhanced endurance, and superior retention to revolutionize informa…