[en] Investigation of electronic structure, magnetism, hybridization and thermoelectricity of Mn₂-based Heusler alloys within the framework of DFT simulation technique have been carried out. Through the optimized ground state parameters viz., lattice constant, total energy and bulk’s modulus, electronic properties, magnetic properties and thermoelectric response of new tailored materials is reported. Mechanically stable with ductile nature and 100% spin polarization could favor their use in future spintronic materials. Thermoelectric properties are investigated through the variation of carrier concentration and temperature. Power factor analysis show a way for the selection of the optimal carrier concentration responsible for increasing their thermoelectric response with temperature. The power factor of 857.51 (966.16) × 10⁹µW K⁻² m⁻¹ s⁻¹ at an optimal concentration of 10¹⁸ cm⁻³ and temperature of 800 K for Mn₂YSn (Mn₂ZnSn) respectively is obtained. The Seebeck coefficient portray them as p-type materials and show a linear increase with temperature and vice versa for the carrier concentrations. (author)