Negative Probability Sampling in Study of Reflection Surface Electron Spectroscopy Spectrum

TL;DR

This paper introduces a universal sampling method that incorporates negative probabilities, significantly improving the simulation accuracy of Reflection Electron Energy Loss Spectroscopy spectra for metals like Ag and Au.

Contribution

A novel sampling technique that effectively handles negative probability contributions in Monte Carlo simulations, enhancing REELS spectrum modeling.

Findings

Excellent agreement between simulated and experimental spectra.

Improved fits in low energy loss regions.

Demonstrated effectiveness for Ag and Au REELS spectra.

Abstract

We propose a sampling method to include the negative contribution to probability density distribution in a sampling procedure. This sampling method is a universal solution for all negative probability problem and shows extraordinarily power in negative cross section problem. A Monte Carlo simulation including negative cross section contribution is developed and successfully preformed to simulate reflection electron energy loss spectroscopy (REELS) spectra for Ag and Au as examples. Excellent agreement is found between simulated spectra and experimental measurements. Notably improved fits to experimental REELS spectra in low energy loss range illustrate the method's strength as well as the necessity of negative cross section contribution.