https://doi.org/10.1140/epjb/s10051-024-00663-x
Regular Article - Solid State and Materials
Thermoelectric, magneto-electronic, and mechanical properties of new 
double perovskites for thermoelectric and spintronic applications
Laboratory of Research in Physics and Engineering Sciences, Polydisciplinary Faculty, Sultan Moulay Slimane University, 23000, Beni Mellal, Morocco
c
abbassi.abder@gmail.com
f
b.manaut@usms.ma
Received:
21
November
2023
Accepted:
19
February
2024
Published online:
8
March
2024
The Full Potential Linearised Augmented Plane Wave method (FP-LAPW) is used to design the structural, elastic-mechanical, electronic, magnetic, and thermoelectric properties of new cubic double perovskite oxides . 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 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 
. 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 can be promising materials for spintronic and thermoelectric applications.
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