Comparing different methods for calculating crystal size, strain and crystallinity of LaBa2Cu3O7 compound using XRD peak broadening analysis

Abstract

In this manuscript, a sample of the compound with the chemical formula LaBa2Cu3O7 was prepared using solid- state reaction technic. The components of the compound after being mixed was calcination in an electric furnace at 700 °C for 8 hours, then the mixture was pressed into pellets with a diameter of one and a half cm, thickness of 3 mm and sintered at 860 °C for 24 hours. X-ray diffraction was performed. X-ray diffraction (XRD) analysis showed the structure of the sample with a tetragonal structure corresponding to phase La-123.The crystal size of the compounds was studied from XRD analysis was conducted. Scherrer, Size-strain plot, Williamson Hall, Size-strain plot, Halder- Wagner and Degree of crystallinity methods were used to study the individual contributions of crystal sizes and lattice partial strain to isotropic line-widening of all reflectance peaks of the LaBa2Cu3O7 compound. The results showed that all the values calculated by the four different methods are close, as all data points better touch the line of the structure. The crystal sizes estimated from XRD correspond well, while a small difference reflects the spherical shape of the nanoparticles.