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Monte Carlo simulation has been applied to study the thermal and magnetic properties of the inverse spinel-like structure, copper fluoride as an example, of spin 1/2 - spin 1 Ising interactions. Our calculations of the magnetization as a function of temperature shows compensation for low values of coupling strength between spin-1 type atoms (J 1) in the same layer, low absolute value of coupling strength between the layers of different spin type (J 3), and large values of coupling strength between spin-1/2 (J 2). The transition from ferrimagnetic to paramagnetic phase is observed at the critical temperature T c. In addition, T c increases slowly at different values of the exchange interaction. Regarding the anisotropy field D on spin 1 state, our results show a threshold value of −0.3 for the compensation to appear. Finally, our results are applicable to the Cu 2 F 5 compound which has d8 and d9 electron configurations. • The compensation temperature in the ferrimagnetic phase depends on the strength of the spin-spin interactions • Compensation occurs for small values of coupling strength of the same type atoms • Compensation occurs for large values of coupling strength of the different type atoms • An itinerant region has been revealed between the compensation and critical temperatures. [ABSTRACT FROM AUTHOR]

Density Functional Theory and Monte Carlo Simulation were used to study the electronic and magnetic properties of X 3 Pt and XPt 3 binary alloys (where X = Fe, Co, or Ni), possessing L1 2 structure. Our results were carried out using a ferromagnetic phase for these binary alloys and showed a Curie temperature (T c) above room temperature for X 3 Pt and below room temperature for XPt 3. We calculated the exchange interactions J x x , J x P t , and J P t P t and found that J N i N i in the Ni 3 Pt compound was the strongest. Finally, we calculated the magnetocrystalline anisotropy for these alloys. • Electronic and magnetic properties of X3Pt and XPt3 binary alloys are studied using Density functional theory and Monte Carlo simulation. • Our results indicate that Curie temperature (T c) is above room temperature for X3Pt and below room temperature for XPt3 • The exchange interactions J x x , J x P t and J P t P t are studied and revealed that J N i N i in N i 3 P t is the strongest. • Weak hybridization between X-3d and Pt-5d orbitals near Fermi energy and strong hybridization between Pt-5d orbital and X-3d are observed. [ABSTRACT FROM AUTHOR]

• Mixed spin Ising model on a checkerboard square structure was proposed. • The effect of crystal field and exchange coupling were studied. • The phase diagrams of the critical and compensation temperatures were presented. • Double-loop hysteresis behaviors were found. The magnetic properties and phase diagrams of the mixed spin-1 and spin-1/2 Ising model on a checkerboard square structure have been studied using the Monte Carlo simulations based on the Metropolis update protocol. The system consists of four quartets of alternative spin configurations. We found that the compensation temperature evolves for J 1 <0.6 of the spin-1 assembly and J 2 >1.6 of spin-1/2. Regarding the crystal field strength, a threshold value of D > - 0.8 has been observed. We obtain the N -, Q - and P -type compensation behaviors in the system. The phase diagrams exhibit a second-order phase transition to a paramagnetic phase for small values of D ; hence, the system does not show the tricritical point. However, for large negative values of D a first-order phase transition occurs at the threshold value of J 1. The magnetic hysteresis cycles have been obtained for different values of the exchange interaction, temperature, and crystal field. Finally, the system exhibits the superparamagnetic behavior for a fixed value of the temperature and crystal field. [ABSTRACT FROM AUTHOR]