Machine learning-based interatomic potential development and phase transition analysis of ferroelectric hafnium dioxide
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Author(s): Yasantha Hetti Kankanamalage, Yufeng Xi, Shuai Zhang, Sobhit Singh, and Niaz Abdolrahim The ferroelectric phase ( P c a 2 1 , which is in orthorhombic symmetry) of hafnium dioxide ( HfO 2 ) has gained much attention due to its potential applications in nanoelectronics and advanced memory devices. However, its complex phase behavior under external stimuli, such as pressure and temperature, remai… [Phys. Rev. Materials 10, 014414] Published Thu Jan 29, 2026

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