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The band alignment, intrinsic ferromagnetism, Dzyaloshinskii-Moriya interaction, magnetic anisotropy and critical temperature (T C) of a GdI 2 /GeC van der Waals (vdW) heterostructure were systematically investigated by first-principles calculations and Monte Carlo simulations. The proposed GdI 2 /GeC vdW heterostructure is a bipolar magnetic semiconductor with Type-I band alignment, large in-plane magnetic anisotropy energy (MAE) of − 0.912 mJ/m2 and high critical temperature of 466 K. In addition, under biaxial strains, the heterostructure transformed from semiconductor into metal, while the easy magnetization axis maintained in-plane and T C increased. The results indicated that the GdI 2 /GeC vdW heterostructure presented large MAE and high T C , having potential applications in spintronic devices. [Display omitted] ● The heterostructures is a bipolar magnetic semiconductor. ● The heterostructures with large in-plane magnetic anisotropy. ● The heterostructures with high critical temperature 466 K. [ABSTRACT FROM AUTHOR]

We applied Monte Carlo simulation to investigate the thermodynamic properties and hysteresis loops of the hexagonal core-shell nanoparticle described by a ferrimagnetic mixed-spin (3/2, 5/2) Ising model. The results revealed the significance of the single-ion anisotropy, exchange coupling, external magnetic field in dominating various thermodynamic quantities and hysteresis loops. We obtained the variation of the critical temperature with various parameters. Under certain parameter conditions, the system may exhibit rich multiple-loop hysteresis behaviors, depending on the competition among the physical parameters. An Ising model of nanoparticle with hexagonal core-shell structure is proposed. The multiple profiles and saturation values of the magnetization are discovered in the system. [Display omitted] • A ferrimagnetic hexagonal core-shell nanoparticle was proposed under an external magnetic field. • Magnetization, susceptibility, and internal energy were discussed by Monte Carlo simulation. • The compensation temperature was found under the effect of single-ion anisotropy. • Multiple-loop hysteresis behaviors were discovered due to the competition among different physical parameters. [ABSTRACT FROM AUTHOR]