In this manuscript, we study the structural, electronic, and magnetic properties of the equiatomic quaternary Heusler alloy ZnCdRhMn in the framework of the first-principle calculations and Monte Carlo simulations. In fact, we have investigated the structural, the magnetic, and the electronic properties of the Zn-based equiatomic quaternary Heusler alloy ZnCdRhMn using the ab initio method in the bases on the GGA approximation. On the other hand, the critical behavior of the equiatomic quaternary Heusler alloy ZnCdRhMn has been outlined by the Monte Carlo simulations. For this end, we apply the Metropolis algorithm. The objective of this work is to improve the competition between the austenitic and martensitic phases on the existence of magnetic and electronic properties of this alloy. The half-metallic behavior is only improved for the austenitic structure and 100% of spin polarization has been found. Moreover, a high curie temperature is found for this alloy for the austenitic phase. We can conclude that the austenitic structure of this alloy is useful for the spintronic device applications.

在本手稿中，我们在第一性原理计算和蒙特卡洛模拟的框架下研究了等原子四元Heusler合金ZnCdRhMn的结构，电子和磁性。实际上，我们已经基于GGA近似从头算方法研究了Zn基等原子四元Heusler合金ZnCdRhMn的结构，磁性和电子性质。另一方面，等原子四元Heusler合金ZnCdRhMn的临界行为已通过蒙特卡洛模拟进行了概述。为此，我们应用了Metropolis算法。这项工作的目的是为了改善奥氏体和马氏体相之间存在的磁性和电子特性之间的竞争。仅对于奥氏体结构，半金属性能得到改善，并且已发现100％的自旋极化。此外，发现该合金用于奥氏体相的居里温度很高。我们可以得出结论，这种合金的奥氏体结构可用于自旋电子器件应用。