Agouri, M., Waqdim, A., Abbassi, A., Ouali, M., Taj, S., Manaut, B., and Driouich, M.
The Full Potential Linearised Augmented Plane Wave method (FP-LAPW) is used to design the structural, elastic-mechanical, electronic, magnetic, and thermoelectric prop-erties of new cubic double perovskite oxides X 2 C e V O 6 (X = S r , B a) . The tolerance factor and elastic parameters show and ensure the stability and formation of both perovskites in the cubic phase. Additionally, the predicted mechanical constants show that X 2 C e V O 6 (X = S r , B a) behave as stable ductile materials. Then, spin-polarized calculations show ferromagnetic and half-metallic behavior for both compounds with a total magnetic moment equal to 1 μ β . Thermoelectric parameters of both materials show high power factor and n-type conductivity, due to the multiple oxidation states of Vanadium. Therefore, these results show that the proposed perovskites X 2 C e V O 6 (X = S r , B a) can be promising materials for spintronic and thermoelectric applications. [ABSTRACT FROM AUTHOR]