X-ray diffraction line profile analysis of nanostructured nickel oxide: Shape factor and convolution of crystallite size and microstrain contributions

Abstract

Nanostructured nickel oxide is synthesized through a chemical route and annealed at different temperatures. Contribution of crystallite size and microstrain to X-ray diffraction line broadening are analyzed by Williamson-Hall analysis using isotropic and anisotropic models. None of the models perform well in the case of samples with smaller average crystallite sizes. For sample with crystallite size ~3nm all models show negative slope which is physically meaningless. Analysis of shape factor shows that the line profiles are more Gaussian like. Size-strain plot method, which assumes a different convolution of the crystallite size and microstrain contributions, is found to be most suitable. The study highlights the fact that the convolution of crystallite size and microstrain contributions may differ for samples and should be taken into account while analyzing the observed line broadening. Microstrain values show a regular decrease with increase in the annealing temperature.