First principle study of Curie temperature, spin polarization, ferromagnetism and transport behavior of Sr2CrXO6 (X = Ta, W, Re, Os) for spintronic

Abstract

The double perovskites have outstanding properties for spintronic devices as they are stable, non-toxic, and accomplish the spin polarization. This article studies the function of 5d-electrons of Ta, W, Re and Os to regulate the magnetic properties of Sr2CrXO6. The tolerance factors and formation energies confirm the stability of the structures and the thermodynamics. The half-metallic ferromagnetic nature is found by analyzing the density of states and band structures described by the double exchange model, exchange energy, and exchange constants. According calculations, ferromagnetism is induced by the electron spin due to hybridization process, magnetic moments, exchange energies, and crystal field energy. The thermoelectric applications are further explored by computing and discussing the thermal and electrical conductivities, and Seebeck coefficients. The power factor has also been elaborated for the performance of studied DPs.