Theoretical studies of the physical properties of solar material CuAlS2

The theoretical approach was employed to comprehensively investigate the structural, dynamical, band structure, optical characteristics, and elastic anisotropy of CuAlS2. The determined lattice parameters (a and c), elastic properties exhibit with the available data. The band structure and density of state indicates that CuAlS2 exhibits semiconductor properties, characterized by a direct band gap measuring approximately 1.791 eV. The mechanical stability and optical properties of CuAlS2 was calculated and analyzed.