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Atomistic study of finite temperature properties in ferroelectric BiAlO$_3$

cond-mat.mtrl-sci · 2026-07-04 · conditional · novelty 5.5

An effective-Hamiltonian Monte Carlo model of BiAlO3 predicts an R3c ferroelectric ground state with room-temperature polarization 81 μC/cm² and Curie temperature 1160 K, plus strong FE–AFD coupling and stress-induced multiphase transitions.

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  • Atomistic study of finite temperature properties in ferroelectric BiAlO$_3$ cond-mat.mtrl-sci · 2026-07-04 · conditional · none · ref 8

    An effective-Hamiltonian Monte Carlo model of BiAlO3 predicts an R3c ferroelectric ground state with room-temperature polarization 81 μC/cm² and Curie temperature 1160 K, plus strong FE–AFD coupling and stress-induced multiphase transitions.