Structural analysis of the Cu-In-Se-S system by using the Rietveld method

Abstract

The Rietveld method, due to its versatility is one of the most used and efficient for the determination of polycrystalline structures, and the calculation of atomic positions. To accomplish the refinement of crystalline structures, a series of steps are required, such as: data acquisition, search of the isostructural phase, patterns indexation, simulation of the structure and finally the adjustment of the structure. In this job the Rietveld method was used for the refinement of the crystalline structure of a semiconductor, which is the alloy Cu-In-Se-S, with different proportions of Se-S, which is used to manufacture solar cells. The results obtained from the refinements of the crystalline structures were used to study the structural variation in the different percentages of Se-S, directly affecting in the physical and chemical properties of these materials, since these depend on different parameters such as concentration, location of the atoms, temperature, among others. These results will allow, making variations in the components that constitute the samples, producing semiconductors with a better efficiency and with greater applications in the industry.