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• YFeO 3 have been studied with GGA and GGA+U reveal a semi-conductor and an Antiferromagnetic type-G behavior. • Magnetic anisotropy results for both approximations show that easy axis magnetization for YFeO 3 is along the c-axis. • Evaluation of the electric polarization and the magnetic transition temperature of the orthorhombic YFeO 3 has done. In this study, we have thoroughly investigated the electronic, magnetic, and electrical properties of yttrium orthoferrite using density functional theory (DFT) within the generalized gradient approximation (GGA) and the (GGA + U) approach, which incorporates the Hubbard term (U). Both approximations consistently reveal a semiconductor behavior and an antiferromagnetic behavior of type-G between the iron (Fe) ions. To delve deeper into the magnetic interactions within YFeO 3 , we have proposed a physical model. This model allows us to calculate the magnetic exchange coupling and magnetic anisotropy parameters through DFT calculations. Additionally, we have conducted computations to determine the electric polarization. Our results have shown that the electric polarization in YFeO 3 is exclusively derived from electronic polarization. We have also explored the relationship between the direction of electric polarization and the easy-axis magnetization. In our investigation, we found that both the electric polarization and easy-axis magnetization align along the c-axis in both approximations. Furthermore, we have examined the influence of the Hubbard term on the direction of polarization. To assess the magnetic temperature transition, we employed Monte Carlo simulations using the Ising model. The critical temperature, denoted as T N , obtained with the GGA approximation is found to be 726.66 K. Remarkably, this value closely matches the experimental critical temperature when compared to the critical temperature obtained with the GGA + U approximation. [ABSTRACT FROM AUTHOR]

In this study, a bilayer Kagome lattice with RKKY interaction is described using a ferrimagnetic mixed spin-3/2 and spin-2 Ising model. Interesting compensation temperature and hysteresis loops of the system generated by various physical parameters, such as the crystal fields of sublattices (D a , D b), the interlayer exchange coupling (J R) and the intralayer exchange coupling (J b) are explored using Monte Carlo simulation. The results demonstrate that the compensation temperature (T comp), weaker D a and J b , and stronger D b , are favourable for the emergence of the compensation temperatures. Besides, under certain physical parameters, the system may exhibit triple-loop hysteresis behavior and multiple magnetization plateaus. • A ferrimagnetic mixed-spin (3/2, 2) Ising model on the bilayer Kagome lattice with RKKY interaction was proposed. • The effects of the crystal field, exchange coupling and non-magnetic layer were studied. • Magnetization, partial magnetization, and susceptibility were discussed. • Phase diagrams of the critical and compensation temperatures were obtained. • Interesting multi-loop hysteresis characteristics and magnetization plateaus were found. [ABSTRACT FROM AUTHOR]

• The critical temperature of FeNi and FePt alloys using Heisenberg interaction is closer to the experimental value than the Ising interaction. • The FeNi and FePt alloys prefer a ferromagnetic phase over the ferrimagnatic phase. • The Ising interaction predicts higher critical temperature for the FeNi alloy than the Heisenberg interaction. • The Heisenberg interaction predicts higher critical temperature for the FePt alloy than the Ising interaction. A Monte Carlo simulation has been used to explore the magnetic properties of L1 0 ordered FeNi and FePt binary alloys. Our Hamiltonians include Heisenberg interaction or Ising interaction. Our calculations of variations of specific heat C v , magnetic susceptibility χ and the magnetization M with the temperature T showed that predicted critical temperature for ferromagnetic phase is very close to the experimental values for these alloys. Also, thermal hysteresis loops, magnetic remanence, and the coercive field have been calculated. Moreover, the magnetic properties of the ferrimagnetic phase are presented. [ABSTRACT FROM AUTHOR]

• The mixed spin Ising model is generally used as a modeling tool to study ferrimagnetism. • Monte Carlo simulation to study the critical and the compensation behaviors of a cubic lattice considering a mixed spin- 3/2 and spin-1 Ising ferrimagnetic model. • The presence of crystal and external magnetic fields is not sufficient to generate the compensation phenomenon in a mixed spins. In this study, we perform Monte Carlo simulations to study the magnetic properties of a mixed Ising model on a cubic lattice where spins S i A = 1 and σ J B = 3/2 are located in sublattice A and B, respectively. The proposed Hamiltonian includes coupling to nearest-neighbors interactions, next-nearest-neighbors interactions, crystal fields D S and D σ and external magnetic field h. We perform exact ground-state calculations for our model. The obtained results show the behavior of the critical temperature with the presence of the compensation temperatures under a certain range of parameters. Particularly, we found that the existence of compensation temperatures depends on the strength of the coupling to the next nearest neighbors between the S i A spins and between the σ J B spins, and it appears in a certain range of values of the external magnetic and crystal field of different spins. [ABSTRACT FROM AUTHOR]

An effective field method has been employed to study the magnetic properties of a ferrimagnetic mixed-spin Ising trilayer nanographene structure. The system is formed by alternate layers of two different spins atoms A (spin-1) and B (spin-½) arranged in a particular fashion A – B – A for which the nearest-neighbor spins of each layer are coupled ferromagnetically (J A and J B), whereas the cross atom interaction A - B (interlayer) is antiferromagnetic (J AB). We examined the effects of interlayer (or intra-layer) exchange coupling and single-ion anisotropy on the magnetization curves of the system. We found that the antiferromagnetic inter-layers (J AB < 0) coupling and the single-ion anisotropy have a dominant factor in the occurrence of the single or the double compensation temperature. We also deeply examined the occurrence of hysteresis loops and their various unusual forms. The results obtained are discussed in detail as a function of the main parameters of the magnetic Hamiltonian. Finally, we noticed that our results are in line with other recently reported theoretical and numerical studies. • Ferrimagnetic spin mixed with nano-graphene trilayer Ising model on effective field approach has been considered. • Effects of Intra- and inter-layers exchange couplings, as well as single-ion anisotropy have been analyzed. • One or more compensation points can be obtained under special choice of intrinsic parameters. • The shape and the multi-windows hysteresis loops can be controlled through exchange or single-ion anisotropy. • Application of synthetic ferrimagnetic multilayers are outlined. [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]