Electronic Structures and Optical Properties of ZnO, SnO2 and In2O3

Abstract
Electronic structures and optical properties of ZnO, SnO2 and In2O3 are investigated by using a first-principles calculation method based on the density functional theory. The dielectric functions dominated by electron interband transitions are analyzed in terms of the calculated electronic band structures and charge density distributions are analyzed to clarify the chemical bonding and electrical conduction characteristics. The calculated results elucidate the similarities and disparities among these materials and also provide a guideline for manufacturing optoelectronic devices with as large a transparent region as possible.