Open AccessMonte Carlo simulation for calculating the exchange couplings in Ca 2 Cr N O 6 ( N = Mo, Re) double perovskites
Author(s) -
O. El Rhazouani,
Younes Ziat,
A. Benyoussef
Publication year - 2017
Publication title -
modern electronic materials
Language(s) - English
Resource type - Journals
eISSN - 2452-2449
pISSN - 2452-1779
DOI - 10.1016/j.moem.2017.09.004
Subject(s) - monte carlo method , magnetic refrigeration , magnetism , ising model , magnetization , spintronics , exchange interaction , materials science , transition metal , condensed matter physics , physics , chemistry , ferromagnetism , catalysis , magnetic field , quantum mechanics , biochemistry , statistics , mathematics
In the last few years there has been a growing interest in mixed magnetic oxides containing the transition-metal Cr, as they show interesting physical properties and a great ability to use in spintronic, photovoltaic and magnetocaloric applications. Therefore, several publications have appeared documenting Cr-based double perovskites, but very few have explored the promising compounds Ca2CrNO6 (N = Mo, Re). Exchange couplings in Ca2CrNO6 (N = Mo, Re) Double perovskites (DPs) have been fitted by Monte Carlo Simulation (MCS) calculations in the framework of Ising model by using a method based on a relation between internal energy per site and magnetization per site. The exchange couplings JCr−Mo=−1.977meV, JCr−Cr=4.614meV and JMo−Mo=1.481meV have been obtained for Ca2CrMoO6, while JCr−Re=−12.221meV, J'Cr−Cr=11.244meV and JRe-Re=11.492meV have been obtained for Ca2CrReO6. The role of exchange couplings strengths in the magnetism of this class of materials has been discussed. Internal energy per site has been calculated