2 papers
cond-mat.mtrl-sci2026
Accelerating point defect simulations using data-driven and machine learning approaches
Arun Mannodi-Kanakkithodi, Menglin Huang, Prashun Gorai +1
Point defects in solid-state materials are now routinely simulated using large supercell structures, requiring efficient quantum mechanical solutions. Data-driven and machine learn…
cond-mat.mtrl-sci2025
Ferroelectricity of Wurtzite AlHfN Heterovalent Alloys
Nate S. P. Bernstein, Daniel Drury, Cheng-Wei Lee +11
Thin films of aluminum hafnium nitride (AlHfN) were synthesized via reactive magnetron sputtering for Hf contents up to = 0.13. X-ray diffraction showed a single…