In this work, we have used the Monte Carlo simulation to study the effect of impurities on the magnetic properties of Mn_1-pBi system. Free boundary conditions for our system were applied to simulate Hamiltonian system of Mn_1-pBi. The exchange interactions are calculated using the ab initio calculations. The variation of magnetization, magnetic susceptibility, and magnetic specific heat vs. temperature was given for a pure (p = 0) and a several impurities (p) for Mn_1-pBi. The critical temperature of Mn_1-pBi was determined. The effects of impurities (p), crystal field, and impurities on the magnetic hysteresis cycle were investigated.

中文翻译：

---

杂质对二元锰铋系统的影响：蒙特卡洛研究

在这项工作中，我们使用了蒙特卡洛模拟研究了杂质对Mn _1-p Bi体系的磁性的影响。我们系统的自由边界条件被用来模拟Mn _1-p Bi的哈密​​顿系统。交换相互作用是使用从头算计算的。对于纯净的（p  = 0）和Mn _1-p Bi的一些杂质（p），给出了磁化强度，磁化率和磁比热随温度的变化。确定了Mn _1-p Bi的临界温度。研究了杂质（p），晶体场和杂质对磁滞循环的影响。