First principles study of electronic and optical properties of the ternary SnSb4S7 using modified Becke-Johnson potential

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The electronic and optical properties of SnSb4S7 compound are calculated by the full-potential linearized augmented plane-wave (FP-LAPW) method. The density of states (DOS) is carried out by the modified Becke-Johnson (mBJ) exchange potential approximation based on density functional theory (DFT). The compound SnSb4S7 has a monoclinic structure with the space group P21/m with lattice parameters of a=11.331Å, b=3.865Å and c=13.940Å. The band gap is calculated to be 0.8eV. The optical parameters, like dielectric constant, refractive index, reflectivity and energy loss function were also calculated and analyzed. The present work provides information about variation of the electronic and optical properties which reveals that SnSb4S7 is suitable for optoelectronic devices.