Abstract
The size, external field and doping dependence of different properties of hexagonal YMnO3 nanoparticles (NPs) is theoretically investigated. The spontaneous magnetization Ms increases with increasing electric field and decreasing NP size N. The polarization decreases with increasing magnetic field h. The band gap increases with decreasing N. The phonon mode ω̄0 = 167 cm−1 shows a kink at TN due to strong spin–phonon interaction. Applying h the kink disappears. By doping with different ions at the Mn site, due to the observed different strains Ms can increase or decrease. By large Ti ion doping, above a critical x value, is taken into account that there appears a hexagonal–orthorhombic phase transition. The Gd and Sr substitution on the Y place in YMnO3 NPs is also discussed. The dielectric function as a function of temperature, NP size and h is studied. The electron and phonon contributions to the specific heat Cp are shown.
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