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.

Heusler 合金在材料科学中引起了人们的关注，因为它们中的一些显示出铁磁性，而结构中没有经典的磁性元素，其中一些显示出超导性。在我们的研究中，我们使用基于 DFT 的第一性原理计算观察了立方系统中 LiGa2Rh Heusler 超导体的结构、机械、热力学、电子和光学特性。发现该结构具有很强的延展性，具有高各向异性性质，能带结构表明其金属性。根据光学特性，低能量紫外光子的吸收量最大，等离子体频率为 16.309 eV。在紫外区，反射率和光导率也很高，但折射率在可见区有一个宽峰。我们在这里发现了一个负磁矩，即 -0.98µ_乙。我们的分析表明，这种结构在光电应用中的可能性很大。