The itinerant magnetism in a 3d-4d double perovskite Sr2CrMoO6

In this work, we use the exact diagonalization and Monte Carlo calculations to study magnetic behaviors of the 3d-4d double perovskite Sr2CrMoO6. The model is described by a quantum Hamiltonian induced by the hybridization mechanism in Sr2CrMoO6 via the double exchange, considering the transition metal Mo5+ (sigma = 1/2, 4d(1)) cation totally non-magnetic and classical core spins S = 3/2 located at sites of Cr3+ (S = 3/2, 3d(3)) cations. We have defined a Hamiltonian matrix and determined eigen-energies which are functions of core spins interactions. At ground state, we have found that the ferromagnetic phase of core spins stabilizes the system for the electronic density n = 0.25. To study magnetic properties at finite temperature, we have defined an effective magnetic Hamiltonian for spins, approving the Monte Carlo simulations for systems of high sizes. Thus, the exchange coupling effect, the magnetization and the magnetic susceptibility are investigated for different sizes, and the critical temperature is determined. (C) 2017 Elsevier B.V. All rights reserved.