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Updated: Sep 27, 2026

Probe Type II Band Alignment in One-Dimensional Van Der Waals Heterostructures Using First-Principles Calculations
Published on: October 12, 2019
Improved comparison of low energy loss spectra with band structure calculations: the example of BN filaments
1Institut des Matériaux Jean Rouxel, Laboratoire de Chimie des Solides, 2, rue de la Houssinière, 44322 Nantes Cedex, France. Philippe.Moreau@cnrs-imn.fr
Abstract:
Electron energy loss spectra have been recorded from BN filaments for energy losses between 2 and 50eV. They compare well with other BN shapes (nanotubes, sheets, etc). The interpretation of all the peaks in the spectra has been made via an ab initio calculation using the FLAPW code WIEN97 (A full potential linearized augmened plane wave package for calculating crystal properties, Karlheinz Schwarz, Techn. Universität Wien, Austria, 1999. ISBN 3-9501031-0-4). In order to fully simulate the observed spectra, the geometry particular to the EELS experiment has been taken into account making use of Wessjohann's relativistic formula for thin anisotropic slabs (Phys. Stat. Sol. B 77 (1976) 535). Furthermore, the effect of the convergent beam has been introduced into the simulation and has been proven to be an important parameter in obtaining the corresponding peak intensities.
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