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- W1966592816 abstract "The behavior of the ferroelectric instability of cubic barium titanate under increasing hydrostatic pressure is investigated from first principles. Beyond a rapid suppression and then reappearance of this instability at about $140phantom{rule{0.3em}{0ex}}mathrm{GPa}$, we highlight a sudden change in the dynamical behavior of $mathrm{Ba}mathrm{Ti}{mathrm{O}}_{3}$ at a pressure of $ensuremath{approx}20phantom{rule{0.3em}{0ex}}mathrm{GPa}$. We show that the ferroelectric instability at high pressure has a totally different character than at atmospheric pressure. From the analysis of the interatomic force constants, we demonstrate that the destabilizing role of the short-range forces at high pressure must be related to the change of the soft mode eigenvector rather than to an original electronic effect." @default.
- W1966592816 created "2016-06-24" @default.
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- W1966592816 date "2006-11-08" @default.
- W1966592816 modified "2023-10-14" @default.
- W1966592816 title "First-principles study of barium titanate under hydrostatic pressure" @default.
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- W1966592816 doi "https://doi.org/10.1103/physrevb.74.180101" @default.
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