Theoretical aspects of electron energy loss spectroscopy

The technique of electron energy loss spectroscopy has provided us with a large body of data on the vibrational normal modes of atoms and molecules adsorbed on crystal surfaces, and of atoms within the outermost surface layers of crystals. In this paper, we review the theoretical description of the inelastic scattering events studied by the method, with emphasis on a series of recent calculations directed at a quantitative description of scattering events in which the electron emerges far from the specular direction or that of a Bragg beam , as a consequence of exciting a vibrational mode of short wavelength.

2021 ◽  
Vol 2015 (1) ◽  
pp. 012064
Author(s):  
Alexander A Kichigin ◽  
Maxim A Yurkin

Abstract To simulate the interaction of a nanoparticle with an electron beam, we previously developed a theoretical description for the general case of a particle fully embedded in an infinite arbitrary host medium. The theory is based on the volume-integral variant of frequency-domain Maxwell’s equations and, therefore, is naturally applicable in the discrete-dipole approximation. The fully-embedded approximation allows fast numerical simulations of the experiments for particles inside a substrate since the host medium discretization is not needed. In this work, we study how applicable the fully-embedded approach is for realistic scenarios with relatively thin substrates. In particular, we performed test simulations for a silver sphere both inside an infinite host medium and inside a finite box or sphere. For the host medium, we considered two non-absorbing cases (the denser one causes Cherenkov radiation), as well as an absorbing case. The peak positions in the obtained spectra approximately agree between substrates a few times thicker than the sphere and the infinite one. However, a much thicker substrate (of the order of μm) would be required to have a qualitative agreement for absolute peak amplitudes. The developed algorithm is implemented in the open-source code ADDA, allowing one to rigorously and efficiently simulate electron-energy-loss spectroscopy and cathodoluminescence by particles of arbitrary shape and internal structure embedded into any homogeneous host medium.


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