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cond-mat.mtrl-sci2025
Order-Disorder in Fe-Si Alloys: Implications for Seismic and Transport Properties of Earth's Inner Core
Cong Liu, Xin Deng, R. E. Cohen
Understanding the structure and dynamics of Earth's inner core is essential for constraining its composition, thermal evolution, and seismic behavior. Silicon is widely considered…
cond-mat.mtrl-sci2025
Stabilization of Ferroelectric Hafnia and Zirconia through Y2O3 doping
Li Yin, Cong Liu, R. E. Cohen
We investigate the possible stabilization of ferroelectricity in bulk Y2O3-doped hafnia and zirconia. We use density functional theory (DFT) with large random supercells of hafnia…