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[Display omitted] • The cubic phase of Sr 2 XWO 6 (X = Fe, Co, Ni) double perovskite exhibits maximum stability in its ferromagnetic configuration. • Sr 2 FeWO 6 and Sr 2 CoWO 6 structures exhibit half-metallicity but Sr 2 NiWO 6 structure is a half-semiconductor. • For the Sr 2 CoWO 6 structure, a negative dielectric function is obtained with no external uniaxial pressure. • The structures exhibit half-metallicity and half semi-conductivity even under applied uniaxial stress. The high symmetry cubic phase of double perovskites is an ideal crystal phase at higher temperatures, and exhibit various fascinating properties such as multiferroicity, half-metallicity and half-semiconductivity. Here, the first principles DFT method was used to study the effect of applying uniaxial stress on the structural, magnetic and opto-electronic properties of Sr 2 XWO 6 (X = Fe, Co, Ni) layered perovskite in cubic phase. Our calculation predicted a negative value of the dielectric function for Sr 2 CoWO 6 compound. Also, the addition of external pressure increases the reflectivity and the refractive index in the visible region for all the double perovskites under consideration. We also find that the Sr 2 FeWO 6 and Sr 2 CoWO 6 structures exhibit ferromagnetic half metallicity, with a decreasing half-metallic gap under increasing pressure. Furthermore, half-semiconducting nature is observed in Sr 2 NiWO 6 structure which have potential implementation in optoelectronics and spintronics. [ABSTRACT FROM AUTHOR]

• The structure is found to be very ductile with high anisotropy nature. • Band structure of LiGa2Rh suggests its metallicity. • A negative magnetic moment is observed which is −0.98µB. • The maximum amount of absorption occurs for low energy UV photons. Heusler alloys have drawn attention in material science because some of them show ferromagnetism without a classical magnetic element within the structure and a few of them show superconductivity. In our study, we observe the structural, mechanical, thermodynamic, electronic and optical properties of LiGa2Rh Heusler superconductor in a cubic system using DFT based first-principles calculation. The structure is found to be very ductile with high anisotropy nature and band structure suggests its metallicity. According to optical properties, the maximum amount of absorption occurs for low energy UV photons, with plasma frequency occurring at 16.309 eV. In the UV region, the amount of reflectivity and optical conductivity also high but the refractive index has a broad peak in the visible region. We found here a negative magnetic moment which is -0.98µ B. Our analysis shows that this structure has a huge probability in optoelectronic applications. [ABSTRACT FROM AUTHOR]