EVALUATING OPTICAL PARAMETERS FROM ELECTRONIC STRUCTURE AND CRYSTAL STRUCTURE FOR BINARY (ANB8-N) AND TERNARY $({\rm A}^N {\rm B}^{2 + N}{\rm C}^{7 - N}_2)$ TETRAHEDRAL SEMICONDUCTORS

Abstract

In this paper, we present new empirical relations to evaluate opto-electronic properties such as refractive index (n), band gap (Eg) and optical electronegativity (Δχ) in terms of electronic structure of atoms (i.e. valence electrons) and crystal structure of materials (i.e. nearest-neighbor distance, d) for zinc blende ( A II B VI and A III B V ) and chalcopyrites ([Formula: see text] and [Formula: see text]) structured solids. The refractive index (n), band gap (Eg) and optical electronegativity (Δχ) of these solids exhibit a linear relationship when plotted against the nearest-neighbor distance d (Å), but fall on different straight lines according to the product of the valence electron of the compounds. We have applied the proposed relation on these solids and found a better agreement with the experimental data as compared to the values evaluated by earlier researchers.