3 papers
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…
cond-mat.mtrl-sci2026
Anharmonic Effects in Ge2Sb2Te5 and Consequences on Thermodynamic Stability
Owain T. Beynon, Adham Hashibon
Chalcogenides are an important class of phase change material (PCMs) due to their application in digital memory solutions. Owing to their ability to reversibly cycle between crysta…