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- W4313443325 abstract "Hexagonal YMnO3 is an attractive multiferroic material whose polarization and magnetic orders are strongly coupled with each other. Doping different cations in hexagonal YMnO3 would influence its properties, especially the magnetic transition temperature (the Néel temperature). In this work, by using first-principles calculations, we not only studied the effects of doping Fe and Cr ions at the Mn-site on the Néel temperature, but also revealed that the variations of electronic structures and the extents of orbital coupling overlaps are both factors to determine the magnetic interaction strength and Néel temperature for YMn1-x(Fe,Cr)xO3 (0 ≤ x < 0.3). Besides the Mn-site, doping rare earth element (La) at the non-magnetic Y-site also influences the Néel temperature. These results are important to provide more understanding about the performance of multiferroic materials." @default.
- W4313443325 created "2023-01-06" @default.
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- W4313443325 date "2023-02-01" @default.
- W4313443325 modified "2023-10-09" @default.
- W4313443325 title "Effect of doping concentration on the antiferromagnetic transition temperature of multiferroic YMnO3: A first-principles study" @default.
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- W4313443325 doi "https://doi.org/10.1016/j.commatsci.2022.111999" @default.
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