2 papers
cond-mat.mtrl-sci2025
Competing phases of HfO from unstable flat phonon bands of an unconventional high-symmetry structure
Yubo Qi, Karin M. Rabe
We carry out first-principles calculations to demonstrate that the complex energy landscape and competing phases of HfO can be understood from the four unstable flat phonon ban…
cond-mat.mtrl-sci2025
High-throughput screening of charge-order-induced ferroelectrics
Jose Cuevas-Medina, Yubo Qi, Natasa Stojic +1
Charge-order-induced ferroelectrics display important technological applications in spintronics devices due to the possibility of magnetoelectric coupling and fast electronic switc…