Magnetic Properties of the DoublePerovskite BaCoUO: Ab Initio Method, Mean Field Approximation, and Monte Carlo Study.

We perform the ab initio method, the Monte Carlo simulation (MCS) and the mean field approximation (MFA) to examine the magnetic proprieties of the double-perovskite BaCoUO. The first method has been employed for investigating and analyzing the electronic density of state (DOS) in the framework of the generalized gradient approximation (GGA) using the fullpotential linearized augmented plane wave (FP-LAPW) method as implemented in the WIEN2k package. On the other hand, the mean field approximation and the Monte Carlo simulation within the Ising model are applied for studying and discussing the magnetic behavior of the compound under study. To complete our investigation of the system, the magnetizations, the specific heat, the magnetic susceptibilities and the hysteresis cycle of the system have been examined. The results reached through these methods are in agreement with experimental data. [ABSTRACT FROM AUTHOR]