Advances in modelling electron energy loss spectra from first principles

Abstract

Abstract Electron energy loss (EEL) spectroscopy carried out within a (scanning) transmission electron microscope can provide chemical and bonding information with atomic resolution. The information that lies within the spectrum can be difficult to extract, and often reference spectra are used to identify atomic bonding environments. First principles simulations are able to relate features in spectra to atomistic models and are particularly important in the interpretation of spectra where there are no appropriate bulk references, such as those from nanomaterials or interfaces. This paper reviews the recent developments in first principles simulations of EEL spectra and highlights the potential for advances in our understanding of materials.