Abstract In order to investigate the magnetic properties and the ground state phase diagrams of the transition metal oxide perovskite-type Pb(Fe1/2Nb1/2)O3, we use the Monte Carlo simulations under the Metropolis algorithm. For this purpose, we propose a Hamiltonian to model this compound when varying different exchange coupling interactions. In a first step, we elaborate the ground state phase diagrams, showing the stable configurations for different physical parameter planes. For non-null temperature values, we present and discuss the magnetic properties and the behavior of not only the magnetizations but also the magnetic susceptibilities, as a function of temperature the exchange coupling interactions, crystal field, and the external magnetic field. Moreover, we have deduced and discussed the dependency of total energy and the specific heat as function of temperature. Finally, we presented the hysteresis loops of the transition metal oxide perovskite-type Pb(Fe1/2Nb1/2)O3 compound as a function of the external magnetic field.

中文翻译：

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多铁性过渡金属氧化物钙钛矿型 Pb(Fe1/2Nb1/2)O3 的磁性：蒙特卡罗模拟

摘要 为了研究过渡金属氧化物钙钛矿型 Pb(Fe1/2Nb1/2)O3 的磁性和基态相图，我们使用 Metropolis 算法下的 Monte Carlo 模拟。为此，我们提出了一个哈密顿量来模拟这种化合物，当改变不同的交换耦合相互作用时。在第一步中，我们详细阐述了基态相图，显示了不同物理参数平面的稳定配置。对于非零温度值，我们展示并讨论了磁特性和不仅磁化强度而且磁化率的行为，作为温度、交换耦合相互作用、晶体场和外部磁场的函数。而且，我们已经推导出并讨论了总能量和作为温度函数的比热的相关性。最后，我们提出了作为外部磁场函数的过渡金属氧化物钙钛矿型 Pb(Fe1/2Nb1/2)O3 化合物的磁滞回线。