Date of Original Version
© 2014 American Vacuum Society
Abstract or Description
A simple method is proposed for inclusion of inelastic effects (electron absorption) in computations of low-energy electron reflectivity (LEER) spectra. The theoretical spectra are formulated by matching of electronwavefunctions obtained from first-principles computations in a repeated vacuum–slab–vacuum geometry. Inelastic effects are included by allowing these states to decay in time in accordance with an imaginary term in the potential of the slab, and by mixing of the slab states in accordance with the same type of distribution as occurs in a free-electron model. LEER spectra are computed for various two-dimensional materials, including free-standing multilayer graphene, graphene on copper substrates, and hexagonal boron nitride on cobalt substrates.
Journal of Vacuum Science and Technology B, 33, 02B105.