Antisite disorder study by Monte Carlo simulation of the double perovskite Sr 2 CrReO 6

In the last few years there has been a growing interest in the double perovskite (DP) Sr2CrReO6, as a magnetic material used in spintronics, due to its high Curie temperature (TC=610 K). Antisite disorder is a defect that affects the spin polarization and the Curie temperature of all PDs. We conducted this work by Monte Carlo simulation to study the effect of the antisite disorder on this compound for two cases: Cr-excess expressed by Sr2Cr1+xRe1−xO6 and Re-excess expressed by Sr2Cr1−xRe1+xO6. This simulation has transformed the concept of the antisite conceived as defect, into a tool to explain the role of transition metals, namely Cr and Re, in the stability and the magnetic performance of the compound Sr2CrReO6. This simulation allows positioning the Cr as a key element in determining the high Curie temperature and the ferromagnetic stability. The effect of crystal field of Re in the disordered sublattice regarding the disorder rates was also explored.