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- W1971508045 abstract "An ab initio--based model of the temperature-induced ferroelectric phase transition in ${mathrm{Sn}}_{2}{mathrm{P}}_{2}{mathrm{S}}_{6}$ (SPS) as a prototype of an unconventional ferroelectric is developed. The order parameter in SPS is found as the valley line on a total-energy surface of the zone-center fully symmetrical ${A}_{g}$ and polar ${B}_{u}$ distortions. Significant nonlinear coupling between order parameter and strain is observed. Monte Carlo simulations describe the additional low-temperature rearrangement in polar structure, which appears in domain boundaries, and describe the relaxation phenomena near the ferroelectric phase transition." @default.
- W1971508045 created "2016-06-24" @default.
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- W1971508045 date "2007-11-16" @default.
- W1971508045 modified "2023-10-18" @default.
- W1971508045 title "Ferroelectricity, Nonlinear Dynamics, and Relaxation Effects in Monoclinic<mml:math xmlns:mml=http://www.w3.org/1998/Math/MathML display=inline><mml:msub><mml:mi>Sn</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>P</mml:mi><mml:mn>2</mml:mn></mml:msub><mml:msub><mml:mi mathvariant=normal>S</mml:mi><mml:mn>6</mml:mn></mml:msub></mml:math>" @default.
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- W1971508045 doi "https://doi.org/10.1103/physrevlett.99.207601" @default.
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