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In this work, we study the equiatomic quaternary Heusler Alloy CoFeCrP usingtwo methods: DFT and Monte Carlo simulations. The DFT method allowed us toillustrate the structural, electronic and magnetic properties of this alloy.The ground state phase diagrams have been presented to show the stableconfigurations in different physical parameter planes. On the other hand, theMonte Carlo simulations, performed under the Metropolis algorithm, permitted todeduce the critical the behavior of the equiatomic quaternary Heusler alloyCoFeCrP. The structural properties results show that the phase of type I, ofthis alloy is the most stable configuration. In addition, the band structures,and density of states calculations results show that this compound exhibits ahalf-metallic character with a 100 % of spin polarization (SP) at theFermi-level. The total magnetic moment of the Heusler compound is found to be4.00 mu_B. Moreover, it is found that the Slater-Pauling is well described forthis alloy. Our results show that this material is a potential candidate forthe spintronic applications. This is due to its half-metallicity, its high spinmoments, its complete SP polarization and its high Curie temperature.

DFT and Monte Carlo simulations of the equiatomic quaternary Heusler Alloy CoFeCrP