Monte Carlo Simulations of Electron Energy-Loss Spectra with the Addition of Fine Structure from Density Functional Theory Calculations

Author:

Attarian Shandiz Mohammad,Guinel Maxime J.-F.,Ahmadi Majid,Gauvin Raynald

Abstract

AbstractA new approach is presented to introduce the fine structure of core-loss excitations into the electron energy-loss spectra of ionization edges by Monte Carlo simulations based on an optical oscillator model. The optical oscillator strength is refined using the calculated electron energy-loss near-edge structure by density functional theory calculations. This approach can predict the effects of multiple scattering and thickness on the fine structure of ionization edges. In addition, effects of the fitting range for background removal and the integration range under the ionization edge on signal-to-noise ratio are investigated.

Publisher

Cambridge University Press (CUP)

Subject

Instrumentation

Reference50 articles.

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