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Thermodynamics and dielectric response of BaTiO₃ by data-driven modeling
Modeling ferroelectric materials from first principles is one of the successes of density-functional theory, and the driver of much development effort, requiring an accurate... -
Dataset: Reversible oxygen migration and phase transitions in hafnia-based fe...
Unconventional ferroelectricity, robust at reduced nanoscale sizes, exhibited by hafnia-based thin-films presents tremendous opportunities in nanoelectronics. However,... -
Ferroelectric control of charge-to-spin conversion in WTe2
This dataset contains the Quantum Espresso input files of both bilayer and bulk ferroelectric structures of WTe2 from which all figures inside the paper can be reproduced....
