Ab initiocalculation of many-body effects on the EEL spectrum of the C(100) surface

Maurizia Palummo, Olivia Pulci, Andrea Marini, Lucia Reining, Rodolfo Del Sole
2006 Physical Review B  
We extend the three-layer model for energy loss calculation to include many-body effects in an ab initio framework. The electron energy loss spectrum of the C͑100͒2 ϫ 1 surface is calculated and compared with the existing experimental results. We show how many-body effects, namely self-energy, local-fields, and electronhole interaction, deeply influence the dielectric response and how their inclusion is essential to have good agreement with the experiment. A strong anisotropic behavior of
more » ... field effects on the dielectric response has been observed, while the inclusion of the electron-hole attractive interaction produces a surface-state exciton with binding energy of about 1 eV, confirming a recent theoretical-experimental study of the optical spectra of this surface.
doi:10.1103/physrevb.74.235431 fatcat:jfil5crvqvctdpux3knvbam5ne