Role of 4d electrons in room temperature ferromagnetism, and thermoelectric properties of Sr2CrXO6 (X = Nb, Mo) for spintronic applications.

The spintronic is an emerging technology which controls the properties of multifactional devices with spin of electrons. In present manuscript, Wien2k and Boltz Trap codes are used to explore electronic, magnetic, and thermoelectric characteristics of Sr 2 CrXO 6 (X = Nb, Mo) double perovskites (DPs). The evaluation of energies released in paramagnetic (PM), antiferromagnetic (AFM), and ferromagnetic (FM) states assure the stability of FM states. Both the negative formation energy and the tolerance factor confirm structural and thermodynamic stability in FM states. The 100 % spin polarization was confirmed by both integer values of magnetic moment (MM) and the spin polarization factor. The values of exchange energy, double exchange model, hybridization of p-d states, and exchange constants are calculated to explore the nature of ferromagnetism and spin functionality. The effect of thermoelectric parameters on spin of electrons and thermoelectric performance are elaborated by thermal to electrical conductivity ratio, Seebeck coefficient and power factor. • High Curie temperature, and spintronic applications. • Spin of electrons overcome the charge with multifuctional properties. • Double exchange mechanism confirms the ferromagnetism by electron spin instead of magnetic ion clustering. • Half metallic ferromagnetism and 100 % spin polarization. • Large value of electrical conductivity and low values of thermal conductivity. [ABSTRACT FROM AUTHOR]