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Using Monte Carlo simulations under the Metropolis algorithm, the magnetic properties of a Mixed Spins (3/2, 1) cubic lattice modeled by mixed spin Ising model have been investigated. First, we discuss the ground state phase diagrams at zero temperature corresponding to different parameters of the model. Then, by choosing ferrimagnetic phases found in the obtained phase diagrams, we analyze the magnetization and compensation behaviors in our system. Striking results have been found; especially, the competition between exchange coupling interactions generates a critical temperature T C and a compensation temperature T comp with T comp < T C . Moreover, the presence of crystal and external magnetic fields leads to the appearance of a second compensation temperature with T c o m p 1 < T c o m p 2 ≪ T C . [ABSTRACT FROM AUTHOR]

The ability to tune and control the magnetic phases of two-dimensional (2D) nanomagnets at room temperature is indispensable for the development of future spintronics and low-dimensional spin circuits. In this work, a first-principles-based investigation combined with a Monte Carlo simulation based on a 2D Ising model is used to investigate the electronic and magnetic behaviour of a recently discovered 2D material, Cr2Ge2Se6 over a large range of strain and electric field strength. This material offers ferromagnetic antiferromagnetic and semiconductor metallic phase transitions in different regimes. In the presence of strain, a colossal enhancement of the critical temperature (Tc) is observed, from 149 K to 885 K. The application of an electric field allows a further enhancement of the Tc to a value of 919 K, offering a supreme enhancement (~517%), compared to its natural condition. The origin of this behavior can be traced to a super-exchange interaction between the Cr and Se atoms and the intrinsic magnetic anisotropy of Cr2Ge2Se6. The presence of external stimuli engenders spontaneous symmetry breaking with an enhanced magnetic moment (~4.36 /Cr atom), a significant intrinsic spin polarisation (~100%) in a half-metallic regime, and a very high critical temperature. The insights of the current investigation could be useful for future developments in multi-stimuli-assisted room-temperature ferromagnetism and electronic phase control, which are of great significance for future magneto-electronic applications. [ABSTRACT FROM AUTHOR]

The antiperovskite Co4N is studied using density functional theory (DFT) calculations and Monte Carlo (MC) simulation within the framework of the Ising model. The structural, density of states (DOS), and band structure calculations show that Co4N is a ferromagnetic material having a higher magnetic moment, a large spin polarization ratio, and exhibits a metallic behavior. The investigated elastic constants, phonon dispersion, and phonon DOS show that the Co4N compound is mechanically and dynamically stable. It is also found that the Co4N is ductile from the Poisson's ratio, Pugh's ratio, and Cauchy pressure. The thermodynamic parameters like heat capacity, Debye and melting temperature are calculated. The magnetization, magnetic susceptibility, and the Curie temperature of magnetic transition are estimated using MC simulations based on the Ising model. The obtained value of TC is in good agreement with available theoretical work. [ABSTRACT FROM AUTHOR]

• 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]

We have employed first-principles calculations of density functional theory (DFT) with GGA and GGA+U exchange correlation to study structural, magnetic, and electronic properties of chromium nitride (CrN) in the rock salt (NaCl) structures. The obtained data from DFT calculations is used as an input in high-temperature series expansions (HTSEs) combined with the Padé approximants (PA) method and Monte Carlo simulation (MC) for the Ising model to investigate the magnetic properties of CrN. The obtained results show that CrN is more stable in the antiferromagnetic order, and undergoes structural and magnetic transitions from an antiferromagnetic NaCl structure to a nonmagnetic Pnma phase at 201 GPa. The density of states (DOS) with GGA approach shows that CrN has a metallic behavior in both FM and AFM configurations whereas with GGA+U CrN is semiconductor in AFM and half-metallic in FM order. The Neel temperature (TN) obtained by HTSE and MC is in agreement with available experimental data. [ABSTRACT FROM AUTHOR]

In this paper, we have studied the structural, electronic, and magnetic properties of the cubic perovskite system Mn4N using the first principles calculations based on density functional theory (DFT) with the generalized gradient approximation (GGA). The obtained data from DFT calculations are used as input data in Monte Carlo simulation with a mixed spin-5/2 and 1 Ising model to calculate the magnetic properties of this compound, such as the total, partial thermal magnetization, and the critical temperatures (TC). The obtained results show that Mn4N has a ferrimagnetic structure with two different sites of Mn in the lattice and presents a metallic behavior. The obtained TC is in good agreement with experimental results. [ABSTRACT FROM AUTHOR]

In the presence of the crystal field D/JCore and the external magnetic field h/JCore, using the Monte Carlo (MC) simulation based on the heat bath algorithm and the effective field theory (EFT), the triangular mixed spin nanowire model consisting of a spin-(1/2) core which is encircled by a spin-1 ferrimagnetic surface shell is studied. We have studied the special effects of the core surface and crystal field on the critical and compensation temperatures. Several properties, such as the magnetization, hysteresis behaviors, coercive field, and remanent magnetizations are studied. For the appropriate values of the system parameters, the compensation point and multi-loops are found PACS 05.50. + q; 77.80. Bh. [ABSTRACT FROM AUTHOR]

In this work, the Effective Field Theory (EFT) based on the probability distribution method is used to study the phase diagrams of an antiferroelectric nanowire with core/shell morphology, in the presence of a random transverse field. We have investigated the effects of the temperature, the concentration c , the surface and the interfacial couplings on the critical and the compensation behaviors (T c and T comp) of the system. The polarization, the susceptibility and the pyroelectric coefficient as a function of the temperature are examined. In addition, the phase diagrams of the nanowire are investigated in detail by modifying the system parameters. It is found that the interfacial coupling | J int / J c | shifts the random transverse field to higher values, therefore the area of the ordered phase is enlarged, which could affects the critical and the compensation temperatures. • The phase diagrams of a nanowire with antiferroelectric interfacial coupling are examined by the effective field theory. • The effect of the antiferromagnetic interfacial coupling on the critical and the compensation behaviors is studied. • The influence of the random transverse field on electric properties. • The dependence of the polarization, pyroelectric coefficient and susceptibility on the temperature are investigated. [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]

A mixed spin-1 and spin-2 Ising ferrimagnetic system is investigated on a square lattice of spins S = ± 2 , ± 1 , 0 and Q = ± 1 , 0 in the presence of an h ′ external magnetic field, such that S and Q are nearest-neighbors antiferromagnetically coupled. Using Monte Carlo simulations we calculate the finite temperature phase diagrams of the magnetization and the specific heat. We consider ferromagnetic interactions between next-nearest neighbors, S spins ( J 2 ′ ), as well as between the Q spins ( J 3 ′ ), and crystal field and external magnetic field interactions at each point of the lattice. Under these conditions the system exhibits spin compensation temperatures and a first-order reentrant behavior in a certain range of the parameters of the Hamiltonian. We analyze the behavior of the critical and compensation temperatures, as well as the first order phase transition temperatures, with the external magnetic and crystal fields, and the next-nearest neighbors interaction between S spins. We found that the existence of compensation temperatures and a first order phase transition depends on the strength of h ′ , J 2 ′ and D ′ . [ABSTRACT FROM AUTHOR]

The magnetic properties of the mixed spin-1 and spin-5/2 Ising ferrimagnetic model on a hexagonal lattice have been studied using the Monte Carlo simulations. The hexagonal lattice study is formed by alternate layers of spins σ = 1 and S = 5 ∕ 2 . The thermal variations of the magnetizations are given. The magnetic hysteresis cycles are established for different values of exchange interactions, crystal-field and temperatures. The magnetic coercive field is deduced. [ABSTRACT FROM AUTHOR]

We study the thermodynamic and magnetic properties of an Ising bilayer ferrimagnet. The system is composed of two interacting non-equivalent planes in which the intralayer couplings are ferromagnetic while the interlayer interactions are antiferromagnetic. Moreover, one of the planes is randomly diluted. The study is carried out within a Monte Carlo approach employing the multiple histogram reweighting method and finite-size scaling tools. The occurrence of a compensation phenomenon is verified and the compensation temperature, as well as the critical temperature for the model, are obtained as functions of the Hamiltonian parameters. We present a detailed discussion of the regions of the parameter space where the compensation effect is present or absent. Our results are then compared to a mean-field-like approximation applied to the same model by Balcerzak and Szałowski (2014). Although the Monte Carlo and mean-field results agree qualitatively, our quantitative results are significantly different. [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 magnetic properties of ferrimagnetic spin-2 and 3/2 Ising-typed thin films are studied by Monte Carlo simulation. The critical temperature is obtained for different values of thickness of the thin film and for different exchange interactions. The total magnetization has been determined for different values of exchange interactions in surface and in bulk and different temperatures. The magnetic hysteresis cycle is obtained for different values of exchange interactions ferro and antiferromagnetic in the surface and in the bulk and for different values of temperatures for a fixed size of the film thickness. The coercive field increase with increasing the film thickness. [ABSTRACT FROM AUTHOR]

A Monte Carlo simulation based on Metropolis algorithm has been used to investigate the magnetic properties of an Ising ferrimagnetic nanowire on a hexagonal structure, which is made up with L alternate layers of spins σ = ±3/2, ±1/2 and S = ±1, 0. The critical behaviors are studied, in the absence as well as in the presence of crystal field interactions. The obtained results show the existence of some interesting phenomena, such as the appearance of different types of phase diagrams. Furthermore, tricritical point, isolated critical point, critical end point, and compensation behavior are found for appropriate values of the system parameters. [ABSTRACT FROM AUTHOR]

The magnetic properties of spins -S and σ Ising model on the Bethe lattice have been investigated by using the Monte Carlo simulation. The thermal total magnetization and magnetization of spins S and σ with the different exchange interactions, different external magnetic field and different temperatures have been studied. The critical temperature and compensation temperature have been deduced. The magnetic hysteresis cycle of Ising ferrimagnetic system on the Bethe lattice has been deduced for different values of exchange interactions between the spins S and σ , for different values of crystal field and for different sizes. The magnetic coercive filed has been deduced. [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]

Magnetic properties of a trilayer nanostructure of hexagonal lattices described by the spin-1/2 Ising model are investigated via the effective-field theory (EFT) with correlations. In order to clarify the distinction between the ferromagnetic and ferrimagnetic behaviors, the total magnetization, total susceptibility, total inverse susceptibility and critical boundaries have been obtained for positive and negative interlayers couplings. From thermal variations, some magnetic compensation types are found for the ferrimagnetic system. The specificities of the susceptibilities when the magnetizations present compensation temperatures have been also studied. • Correlation identities on a nanostructure of hexagonal lattices are obtained. • From the spin correlation identities the effective-field theory is applied. • The total magnetization and total susceptibility are obtained. • The critical temperature and the compensation temperature are investigated. [ABSTRACT FROM AUTHOR]

• Critical properties of Fe-Al alloys in the bcc phase – phase diagram. • Ising model with exchange and superexchange interactions. • Monte Carlo simulations taking the effects of the Al cluster sizes. A spin-1/2 Ising model, defined in the body centered cubic lattice, is used to describe some of the thermodynamic properties of Fe p - Al q alloys, with p + q = 1. The model assumes, besides the nearest-neighbor exchange coupling, the existence of further next-nearest-neighbor superexchange interactions, where the latter ones depend on the aluminum atoms cluster size. The Ising system so considered is studied by employing Monte Carlo simulations, using a hybrid algorithm consisting of one single-spin Metropolis move together with one single-cluster Wolff algorithm allied, in addition, with single histograms procedures and finite-size scaling techniques. Quite good fits to the experimental results of the ordering critical temperature, as a function of Al concentration in the range 0 ⩽ q < 0.7 , are obtained and compared to more recent theoretical approaches done on the same alloys. [ABSTRACT FROM AUTHOR]

Phase transitions, compensation phenomenon, and magnetization of a ferroferrimagnetic ternary alloy ABρC1-ρ composed of three different kinds of magnetic ions A, B, and C with the spin magnitudes 1/2, 1, and 3/2 are examined within the framework of a mixed-spin Ising model on a honeycomb lattice with a selective annealed site disorder on one of its two sublattices. It is supposed that the first sublattice of a bipartite honeycomb lattice is formed by the spin-1/2 magnetic ions, while the sites of the second sublattice are randomly occupied either by the spin-1 magnetic ions with a probability ρ or the spin-3/2 magnetic ions with a probability 1-ρ, both being subject to a uniaxial single-ion anisotropy. The model under investigation can be exactly mapped into an effective spin-1/2 Ising model on a triangular lattice through the generalized star-triangle transformation. For a specific concentration of the spin-1 (spin-3/2) magnetic ions, it is shown that the ferroferrimagnetic version of the studied model may display a compensation temperature at which the total magnetization vanishes below a critical temperature. The critical temperature strikingly may also become independent of the concentration of the randomly mixed spin-1 and spin-3/2 magnetic ions for a specific value of a uniaxial single-ion anisotropy. The spontaneous magnetic order may be notably restored at finite temperatures through the order-by-disorder mechanism above a disordered ground state, which results in an anomalous temperature dependence of the total magnetization with double reentrant phase transitions. [ABSTRACT FROM AUTHOR]