Structural, magnetic properties and diagram phases of the quaternary Heusler compound MnNiCuSb

摘要

In this paper, Monte Carlo simulations (MCS) under the Metropolis algorithm and the Ab-initio calculations based on the Quantum espresso code, are used to simulate the structural, the magnetic properties and the diagram phases of the quaternary Heusler compound MnNiCuSb. As far as we know, this alloy has not been neither synthesized nor theoretically studied. We have applied the Ab-initio calculations to investigate the density of states (DOS) of this compound. Such method showed that this material MnNiCuSb, has three magnetic elements: Mn, Ni and Cu. In a first step, we have presented and discussed the ground state phase diagrams in different planes corresponding to different physical parameters. In order to apply the Monte Carlo Simulations, we modeled the three magnetic elements (Mn, Ni and Cu) by the magnetic spin moments: S = 2, σ = 1 and Q = 1/2, respectively. Our calculations showed that for null temperature values, this compound presents interesting properties, when exploring the behavior of the total magnetizations as a function of temperature and external magnetic field. Also, we have studied the effect of varying the crystal magnetic field on the coercive field for fixed temperature and exchange coupling interactions.