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• W2143278787 endingPage "012028" @default.
• W2143278787 startingPage "012028" @default.
• W2143278787 abstract "This is a partially review paper in which, in continuation of previous work, it is shown that in perovskite crystals of ABO3 type the spontaneous polarization is triggered by local vibronic interactions, the pseudo Jahn-Teller effect (PJTE). The driving force of the latter is added covalency by distortion, which is essentially of local (chemical) origin. The local origin of polar instability in crystals is confirmed by the theorem of structural instability proved earlier. For crystals of BaTiO3 type local PJT interactions of the metal ion with the oxygen environment results in a peculiar adiabatic potential energy surface (APES) which has eight trigonal [111] type minima, twelve [110] type saddle points between them, six higher in energy [100] type saddle points at the top of the barrier connecting four minima, and a maximum at the cubic symmetry. The temperature dependence of the free energy with this potential explains the origin of all the four phases in such crystals; only the lowest rhombohedral phase is fully ordered, the other two ones at higher temperatures are partially disordered, and the paraelectric phase is fully (three-dimensionally) disordered. For BaTiO3 this picture is confirmed by numerical estimates and ab initio DFT calculations." @default.
• W2143278787 created "2016-06-24" @default.
• W2143278787 creator A5078587306 @default.
• W2143278787 date "2013-04-05" @default.
• W2143278787 modified "2023-10-14" @default.
• W2143278787 title "A Local Approach to Solid State Problems: Pseudo Jahn-Teller origin of Ferroelectricity and Multiferroicity" @default.
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• W2143278787 doi "https://doi.org/10.1088/1742-6596/428/1/012028" @default.
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