Phase diagrams and magnetic properties of double perovskite Ba₂CrMoO₆

Abstract

In this paper, the Monte Carlo simulation (MCS) and the mean field approximation (MFA) methods have been used to study the magnetic properties of double perovskite Ba 2 CrMoO 6 in the framework of the Ising model, which is important for a better understanding of the magnetic behavior of this material. This compound is constituted of two magnetic cubic sublattices: one occupied by Mo 5+ and other occupied Cr 3+ , the critical exponents and phase diagrams for this compound are determined. The critical behavior, compensation temperature and susceptibility are also determined. Int. J. Mod. Phys. B Downloaded from www.worldscientific.com by UNIVERSITY OF CALIFORNIA @ SANTA BARBARA on 10/07/15. For personal use only. M. Ait-Tamerd et al.interesting feature in these compounds is the half-metallicity, 14-16 ferromagnetism and high magnetic Curie temperature (T c ). [17][18][19][20][21][22][23] The compounds perovskite with barium are ferrimagnetic in Ba 2 MnReO 6 , antiferromagnetic in Ba 2 MnMoO 6 and Ba 2 CaWO 6 , 24,25 which have a rich physical properties. However, Ba 2 CrMoO 6 is ferromagnetic in their ground state with a high transition temperature T c = 335 K and a small band-gap energy (0.18 eV). 26 The electronic structure and magnetic properties of DP Ba 2 CrMoO 6 have been studied by ab initio calculation using the first-principle linear muffin-tin orbitals with the atomic-sphere approximation (LMTO-ASA) method 15,27,28 and has shown a ferrimagnetic half-metallic behavior.Due to the many investigations on electronic and magnetic properties of DP compounds using theoretical method, we choose to study in this work the phase diagrams and magnetic properties using other methods including the mean field approximation (MFA) and Monte Carlo simulation (MCS). The magnetic susceptibility, the critical exponents and compensation temperature have been determined in this work.where J 1 exchange interaction between spins Cr-Mo (first nearest neighbors) and vice versa; J 2 exchange interaction between spins Mo-Mo (second nearest neighbors); J 3 exchange interaction between spins Cr-Cr (second nearest neighbors); ∆ crystal field of sublattice of Chromium. Ground StatesThe phase diagram is expressed in terms of the reduced coupling r 1 = j 1 /j 2 and the reduced crystal field d = ∆/j 2 , for r 3 = j 3 /j 2 = 0.5, 1 and 2. In this system, 1550174-2 Int. J. Mod. Phys. B Downloaded from www.worldscientific.com by UNIVERSITY OF CALIFORNIA @ SANTA BARBARA on 10/07/15. For personal use only. 1550174-3 Int. J. Mod. Phys. B Downloaded from www.worldscientific.com by UNIVERSITY OF CALIFORNIA @ SANTA BARBARA on 10/07/15. For personal use only.

Nonequilibrium magnetic properties of the Sr2FeMoO6 type double perovskite structure

“…Despite its simplicity, the mixed spin Ising model can also still provide a good simulation of many complex structures, such as DP materials [19]. Moreover, magnetic properties of the DPs have been studied on La 2 NiMnO 6 [20], Sr 2 CrOsO 6 [21], Sr 2 CrMoO 6 [22], Sr 2 CrIrO 6 [23], Sr 2 RuHoO 6 [24], Sr 2 CrReO 6 [25], Sr 2 TiMoO 6 [26], Ba 2 CrMoO 6 [27], Ba 2 NiUO 6 [28] by using MC simulation. The magnetic properties of the DPs have also been studied on Sr 2 RuHoO 6 [24], Sr 2 CrReO 6 [25], Ba 2 CrMoO 6 [27], Ba 2 NiUO 6 [28] by using MFA and on Sr 2 TiMoO 6 [26] by using density function theory.…”

“…Moreover, magnetic properties of the DPs have been studied on La 2 NiMnO 6 [20], Sr 2 CrOsO 6 [21], Sr 2 CrMoO 6 [22], Sr 2 CrIrO 6 [23], Sr 2 RuHoO 6 [24], Sr 2 CrReO 6 [25], Sr 2 TiMoO 6 [26], Ba 2 CrMoO 6 [27], Ba 2 NiUO 6 [28] by using MC simulation. The magnetic properties of the DPs have also been studied on Sr 2 RuHoO 6 [24], Sr 2 CrReO 6 [25], Ba 2 CrMoO 6 [27], Ba 2 NiUO 6 [28] by using MFA and on Sr 2 TiMoO 6 [26] by using density function theory. The EFT was also utilized on the investigation of magnetic properties of the Sr 2 CrReO 6 DP [29].…”