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In this study we are investigating the effect of pressure and tetragonal distortion of Co 2 FeGa full Heusler compound in L2 1 and XA structures on the elastic, magnetic and thermomagnetic properties. Our approach for this is by using density functional theory (DFT) and Monte Carlo (MC) simulation. Our result reveals a significant effect of pressure on the magnetization and Curie temperature on both prototypes. The elastic constants calculated here determine the stable configuration on both structures. The exchange interaction is also influenced by the pressure. The same sort of behavior of the effect of tetragonal distortion is seen on the elastic constants, magnetization, and exchange interaction. Therefore, a detailed significant effect is found in this work and compared to previous studied. [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]

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]