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In this work, we study the magnetocaloric properties of half 5/2 and integer 3 mixed spin model on a square–hexagon «4-6» structures are studied by Monte Carlo simulations. The total magnetization and the magnetization of each sub-lattice of the mixed-spin lattice have been analyzed. The magnetic susceptibility, dM/dT and magnetic entropy changes are found. The magnetic hysteresis cycles under, with the temperatures, exchange interactions (S-S), (σ-σ) and (σ-S), and the crystal fields (Dσ and DS) has been discussed. [ABSTRACT FROM AUTHOR]

[Display omitted] • La 2 NiMnO 6 exhibits semiconductor behavior. • Stable ground state of La 2 NiMnO 6 is ferromagnetic. • Band gaps were found to be 0.99 eV (spin-up) and 1.24 eV (spin-down) with GGA-PBE. • 1.41 eV (spin-up) and 1.52 eV (spin-down) with GGA-mBJ. • Optical properties, such as electron energy loss, absorption, and conductivity. In this paper, we examined the La 2 NiMnO 6 double perovskite oxide semiconductor materials, our treatment included the structural, electronic, magnetic, and optical characteristics by utilizing the density functional theory, which was performed in the Wien2k software. The exchange–correlation potential was carried out in combination with the GGA-PBE (Perdew Burke Ernzerhof Generalized Gradient Approximation), and GGA + mBJ (modified Becke and Johnson) was used for the exchange–correlation potentials. The results suggest that the compound La 2 NiMnO 6 exhibits in a ferrimagnetic state. It was also found that the stable ground state of the compound is ferrimagnetic. The results demonstrate that La 2 NiMnO 6 has a band gap whose spin-up value is 0 eV and spin-down (dn) value is 2.86 eV (GGA-PBE), with up values is 0 eV and dn value being of 3 eV (GGA + mBJ). We also explored different optical properties, among them electron energy loss, absorption coefficient, real and imaginary dielectric tensor, and real and imaginary optical conductivity. [ABSTRACT FROM AUTHOR]

The aim of this paper is to investigate the magnetic properties of phosphorene-like nano-structure applying the Metropolis Monte Carlo simulations. Based on the spin mixed system σ = 7/2 and S = 2, we have analysed the variation of the magnetic phase states in the absence of temperature and the magnetizations of the compound with temperature for the mixed spins phosphorene. We also studied the effect of varying other parameters such as the exchange coupling interactions, the temperature, the external magnetic field and the crystal fields on the total and partial magnetizations. Besides, we have discussed the effect of each parameter on the critical temperature of the system. Finally, we have presented the magnetic hysteresis cycles, for different values of crystal field, exchange coupling interactions and temperature. [ABSTRACT FROM AUTHOR]

[Display omitted] This study delves into the magnetocaloric effect of the Borophyne structure, employing a Monte Carlo method with a mixed spin composition of σ = 3/2 and S = 1. Each site within the structure is occupied by a spin, with pairwise interactions governed by exchange coupling parameters J SS , J σσ , and J Sσ , the interaction between two neighboring atoms is considered an antiferromagnetic for J Sσ < 0 or ferromagnetic for J Sσ > 0. The investigation focuses on determining magnetic entropy changes, relative cooling power, adiabatic temperature, and magnetic hysteresis cycles for a range of magnetic parameters. The results obtained from this study demonstrate that the structure under investigation exhibits highly intriguing properties. Through our simulations and analysis, we have uncovered a range of characteristics that highlight the unique behavior of the system. [ABSTRACT FROM AUTHOR]

In this work, we have used the Monte Carlo simulation to study the effect of impurities on the magnetic properties of Mn1-pBi system. Free boundary conditions for our system were applied to simulate Hamiltonian system of Mn1-pBi. The exchange interactions are calculated using the ab initio calculations. The variation of magnetization, magnetic susceptibility, and magnetic specific heat vs. temperature was given for a pure (p = 0) and a several impurities (p) for Mn1-pBi. The critical temperature of Mn1-pBi was determined. The effects of impurities (p), crystal field, and impurities on the magnetic hysteresis cycle were investigated. [ABSTRACT FROM AUTHOR]

The effect of the one defects on borophene tri-Layer structure consisting of nineteen hexagonal B36 units of a mixed spin S(A) = 7/2, S(B) = 2 and S(C) = 1/2 was study via Monte Carlo simulation in the absence and presence of external magnetic and crystal fields. Monte Carlo simulation method with the Metropolis algorithm is used to study magnetic properties of this system. To complete this study, the hysteresis cycle is established for fixed values of defect, temperature, crystal field value exchange interactions. [ABSTRACT FROM AUTHOR]

In this paper, we study the influence of the physical parameters on the thermal and magnetic properties of a nano-particle of bi-fullerene-like structure X-Y separated by nonmagnetic spherical surfaces, using the Metropolis Monte Carlo (MC) simulations. The coupling between the two spheres containing the spins = 3/2 and the spins S = 7/2 belongs to the core and shell, respectively. This study is based on the RKKY (Ruderman-Kittel-Kasuya-Yoshida) interaction type. To complete this work, we carry out the hysteresis cycles of the studied system for different nonmagnetic surface (NMS) numbers. [ABSTRACT FROM AUTHOR]

• Use of Monte Carlo simulations to study the influence of physical parameters on the magnetic properties of a cylindrical core/shell structure. • The structure consists of two cylinders separated by nonmagnetic cylindrical surfaces. • Coupling between the two cylinders involves spins σ=3/2 for the core and S = 2 for the shell. • The study is based on the RKKY (Ruderman-Kittel-Kasuya-Yoshida) type of interaction. • Conducting hysteresis cycles of the system for different numbers of nonmagnetic surfaces to complete the study. In this paper, we use Monte Carlo simulations to study the influence of physical parameters on the magnetic properties of a cylindrical core/shell structure separated by nonmagnetic cylindrical surfaces. The coupling between the two cylinders includes the spins σ=3/2 and S = 2 belonging to the core and shell, respectively. This study is based on the RKKY (Ruderman-Kittel-Kasuya-Yoshida) type of interaction. In order to complete this study, we carry out the hysteresis cycles of the system under study for a different number of non-magnetic surfaces. [ABSTRACT FROM AUTHOR]

The magnetic properties of Coronene -Like Superlattice (CLS) have been investigated via Monte Carlo study. The system has been described by Hamiltonian contain the (S–S), (σ-σ), (σ-S) spins, external magnetic and the crystal field applied on the two spins S and σ. The several more stable magnetic phases of CLS are obtained under effect of crystal field, exchange interactions and magnetic field. The critical and compensation temperatures of CLS are found for a several exchange interactions between the spins (S–S, σ-S) and crystal fields for a fixed value of exchange interactions between spins σ-σ. Magnetic hysteresis cycles of CLS are obtained for a several temperatures, exchanges interactions (S–S), (σ-σ) and crystal filed D σ. In particular, the results show that the effect of: temperature, exchange coupling, magnetic field and crystallized field, play an important role in the presence of the more saturated magnetic phases and their effect on the magnetic hysteresis cycle. • Magnetic properties of Coronene -Like Superlattice have been investigated via Monte Carlo study. • Several magnetic phases more stable of CLS are obtained. • The critical and compensation temperatures of CLS are found for several exchange interactions and crystal fields applied. • Magnetic hysteresis cycles of CLS for a several temperatures, exchanges interactions (S-S), (s-s) and crystal filed D s. [ABSTRACT FROM AUTHOR]

[Display omitted] • Magnetic properties of a Borophyne superlattice have been investigated. • Generation of hysteresis loops for different sets of parameters. • Analysis of magnetization changes concerning temperature and exchange coupling. • Revealing intriguing magnetic properties aids in understanding complex phenomena. • Potential application in designing novel magnetic materials. In this study, the effect of different physical parameters on the magnetic properties of a Borophyne superlattice is investigated by means of Monte Carlo simulations. The structure consists of alternating A, B, and C layers, each with a different spin (A = 1, B = 5/2, and C = 2). We plot hysteresis loops for different parameter sets, analyze the total and partial magnetization changes as a function of temperature, and exchange coupling parameters. Our investigations reveal intriguing properties of the magnetic structure that are useful for a better understanding of complex magnetic phenomena and for the design of novel magnetic materials. [ABSTRACT FROM AUTHOR]

In this study, we have studied the magnetic properties and magnetocaloric effect of the nano-borophene bilayer with RKKY (Ruderman-Kittel-Kasuya-Yosida) exchange interactions of mixed spin 2 and 3/2 using Monte Carlo calculations. In the first part of this investigation, the ground state phase diagrams for zero temperature are reported and discussed. We also determined the critical temperature for varying the number of non-magnetic layers (NML) and the interacting couplings J ss. In the second part, we investigated the influence of the parameter NML, the exchange couplings J ss and J σσ , and the crystal field on the total magnetizations and the magnetic hysteresis loop. The specific heat and magnetic entropy changes versus of the temperature under the effect of different external magnetic fields and the parameter J ss. Finally, we analyzed the relative cooling power (RCP) for distinct external magnetic field and J ss. [ABSTRACT FROM AUTHOR]