Critical behavior in ferroelectrics from first principles.
We report first-principles-based calculations, combined with an efficient Monte Carlo technique, that undoubtedly show that Pb(Zr0.5Ti0.5)O3, one of the most important ferroelectrics to date, adopts critical behavior that strongly deviates from the classical mean-field approach while being, in fact, consistent with the 3D-random Ising universality class.
Almahmoud
Emad
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Physics Department, Al al-Bayt University, Mafraq 25113, Jordan.
Kornev
Igor
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Bellaiche
L
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