A Simulation Study on Regularization Method for Generating Non-Destructive Depth Profiles from Angle-Resolved XPS Data

Two types of regularization method (singular system and HMP approaches) for generating depth-concentration profiles from angle-resolved XPS data were evaluated. Both approaches showed qualitatively similar results although they employed different numerical algorithms. The application of the regularization method to simulated data demonstrates its excellent utility for the complex depth profile system. It includes the stable restoration of the depth-concentration profiles from the data with considerable random error and the self choice of smoothing parameter that is imperative for the successful application of the regularization method. The self choice of smoothing parameter is based on generalized cross-validation method which lets the data themselves choose the optimal value of the parameter.