Electronic and magnetic properties of double perovskite Sr2CoUO6: Heisenberg model

A. Nid-bahami, S. Sidi Ahmed, M. Ait-Tamerd, H. Zaari, A. El Kenz and A. Benyoussef

Physica A: Statistical Mechanics and its Applications, 2018, vol. 490, issue C, 1259-1266

Abstract: This work will be focused on the electronic and magnetic properties of Sr2CoUO6 (SCUO) using ab-initio calculations and Monte Carlo Simulation (MCS). Firstly, we calculate the exchange coupling and the crystal field, then, the electronic and magnetic properties will be studied, using the full-potential linearized augmented plane wave (FP-LAPW) method, as implemented in the Wien2k code. This method employing the generalized gradient approximation (GGA) for exchange–correlation term. The half-metallic ferromagnetic nature implies a potential application of this new compound in spintronics devices. Also, we have presented the results of the band structures and densities of states for the two up and down spin polarizations. The exchange coupling and the crystal field calculated are J=0.567meV and δ=0.559meV, and total spin magnetic moments is 2.96 μB closed to experimental values 3 μB. Secondly, we have presented the results for the magnetization and the susceptibility as a function of temperature. Finally, we obtain the critical temperature T=9.20 K by MCS in good agreement with the experimental value.

Keywords: Monte Carlo simulation; Heisenberg model; Magnetic properties; Double perovskites; Electronic structure; Ab-initio (search for similar items in EconPapers)
Date: 2018
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Persistent link: https://EconPapers.repec.org/RePEc:eee:phsmap:v:490:y:2018:i:c:p:1259-1266

DOI: 10.1016/j.physa.2017.08.027

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