3 papers
cond-mat.mtrl-sci2025
Structure and stability of 7:3 rare earth oxide-phosphates: a combined ab initio and experimental study
Ligen Wang, Konrad Burkmann, Sergey V. Ushakov +9
Rare earth oxide-phosphates (REOPs) form a largely unexplored family of refractory lanthanides and yttrium compounds with general formula RExOy(PO4)z. They are of interest for appl…
cond-mat.mtrl-sci2024
Computational investigation of formation enthalpies and phase stability for rare earth oxyphosphates
Edric X. Wang, Ligen Wang, Qi-Jun Hong
Rare earth phosphates have garnered significant interest due to their versatile properties, including high chemical stability, thermal resistance, luminescence, and the ability to…
cond-mat.mtrl-sci2024
Accelerating material melting temperature predictions by implementing machine learning potentials in the SLUSCHI package
Audrey CampBell, Ligen Wang, Qi-Jun Hong
The SLUSCHI (Solid and Liquid in Ultra Small Coexistence with Hovering Interfaces) automated package, with interface to the first-principles code VASP (Vienna Ab initio Simulation…