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- W2280105874 endingPage "126002" @default.
- W2280105874 startingPage "126002" @default.
- W2280105874 abstract "We have investigated the structural, electrical and magnetic properties as well as the phonon modes of hexagonal rare-earth manganites (RMnO3, R = Pr, Nd, Pm, Sm, Gd, Tb, Dy, Ho, Er, Tm and Lu) under chemical pressure, hydrostatic pressure and epitaxial strain by first-principles calculations. The magnetic ground state of RMnO3 is found to have Γ4 magnetic configuration and to be stable under all considered external conditions. In contrast, the K3 phonon mode, which is the primary order parameter and responsible for the 'improper ferroelectricity', is greatly influenced by pressure and epitaxial strain. Consequently, the electric polarization is enhanced by 56.7% when the chemical pressure increases from R = Pr to R = Lu. The hydrostatic pressure can also improve the polarization to a certain degree, e.g. by 14.7% from 0 GPa to 40 GPa in LuMnO3. Finally, the dependence of polarization on the epitaxial strain is also given, revealing that the compressive strain could promote the ferroelectricity while tensile strain will suppress it." @default.
- W2280105874 created "2016-06-24" @default.
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- W2280105874 date "2016-02-26" @default.
- W2280105874 modified "2023-09-26" @default.
- W2280105874 title "Pressure and strain effects of hexagonal rare-earth manganites: a first-principles study" @default.
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- W2280105874 doi "https://doi.org/10.1088/0953-8984/28/12/126002" @default.
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