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cond-mat.mtrl-sci2026
An Exchange-Correlation Functional for Fast and Accurate Modeling of Ferroelectric Perovskites
Owain T. Beynon, Chiara Gattinoni
We present a novel exchange correlation functional, C09x-PBEc, which combines C09 exchange with PBE correlation, to accurately model the ferroelectric properties of perovskites whi…
cond-mat.mtrl-sci2026
Non-equilibrium Effects in Vibrational Modes Pumped by Inelastic Tunneling
Chi Ming Yim, Owain T. Beynon, Seunghyun Khim +2
The properties of strongly correlated electron materials exhibit a surprising sensitivity to small lattice distortions, providing an opportunity for their tuning by selective disto…