Using the sublattice method and density functional theory, electronic structure of a LiTlTe 2 crystal with chalcopyrite was studied for first time equilibrium parameters lattice a=6.7526 Angstrem, c=13.3037 u(Te)=0.2423 were calculated. It has been established that valence bands its closest analogue LiInTe actually coincide in topology, is direct-gap semiconductor band gap 0.63 eV splitting 0.0...

In the present work, CuInS2 nanoparticles have been successfully synthesized by water-bath method with deionized water as solvent and thioglycolic acid as complexing agent at 80°C. The phase transition of CuInS2 from chalcopyrite to wurtzite was realized by adjusting the pH value of reaction solution. The emergence of Cu2S in the condition of higher pH value of reaction solution led to the form...

This paper discusses the potential of the intermediate band solar cell IBSC concept to improve the efficiency of thin-film chalcopyrite solar cells. The results show that solar cells based on CuGaS2, with a radiative limiting efficiency of 46.7%, exhibit the highest potential. A simple method for the identification of transition elements that when incorporated in CuGaS2 could possibly introduce...

A simple theoretical study of the linear electro-optic effect is presented. This semiclassical approach is based on the single-energy-gap model, the dielectric theory and the concepts of bond charge and effective ionic charge. A general expression is obtained for the electro-optic coefficient of a crystal and is applied to a wide variety of diatomic and ternary compounds including zincblende (G...