First-principles calculations of the electronic, optical and elastic properties of CdIn₂S₄thiospinel at ambient and elevated pressure

Abstract

CdIn 2 S 4 thiospinel was studied by means of the first principles calculations in both generalized gradient and local density approximations (GGA and LDA). The structural, electronic, optical and elastic properties were calculated in the pressure range from 0 to 10 GPa, below the pressure of phase transition for this compound. One of the main results of the paper is that the previously encountered in the literature controversy regarding the character