In this paper, we have studied the structural, electronic, and magnetic properties of the cubic perovskite system Mn 4 N using the first principles calculations based on density functional theory (DFT) with the generalized gradient approximation (GGA). The obtained data from DFT calculations are used as input data in Monte Carlo simulation with a mixed spin-5/2 and 1 Ising model to calculate the magnetic properties of this compound, such as the total, partial thermal magnetization, and the critical temperatures (T C). The obtained results show that Mn 4 N has a ferrimagnetic structure with two different sites of Mn in the lattice and presents a metallic behavior. The obtained T C is in good agreement with experimental results. Keywords Cubic perovskite Mn 4 N • DFT • Monte Carlo simulation • Critical temperature
The magnetic properties of spinel ferrites Cu1−xZnxFe2O4 are studied using high-temperature series expansions combined with the Padé approximates. The exchange interactions, inter and intra-sublattices
,
and
are obtained using a probability distribution law. The critical exponent γ associated with the magnetic susceptibility is obtained.
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