Temperature dependent Ab initio study of magnetic materials

Magnetic materials are important to a wide array of applications from steel to computer memory technology. Understanding the thermodynamics of these materials in such applications is often crucial. In this study, we apply the Temperature Dependent Effective Potential (TDEP) method to perform temperature-dependent ab initio studies of magnetic materials. Noncolinear constrained magnetic moment calculations within the framework of Density Function Theory (DFT) are used. The effects of the thermal environment on material properties are demonstrated.