Electronic Structure and Dielectric Functions of GaInS3 from Ab initio and Experimental Studies

Abstract

Band structure and dielectric functions of GaInS₃ studied experimentally by spectral ellipsometry and theoretically using density functional theory (DFT). The real and imaginary components of optical functions measured from 0.7 to 6.5 eV. The band gap was determined from the computed density of states (DOS). An analysis of atom-projected partial density of states (PDOS) provided insights into the nature of chemical bonding in GaInS₃.