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

TitleAb initio calculation of many-body effects on the EEL spectrum of the C(100) surface
Publication TypePalaiseau Article
Acknowledgements

None

Author Address

Palummo, M (Reprint Author), Univ Roma Tor Vergata, ETSF, Ric Sci, I-00133 Rome, Italy. Univ Roma Tor Vergata, ETSF, I-00133 Rome, Italy. Univ Roma Tor Vergata, Dipartimento Fis, I-00133 Rome, Italy. Ecole Polytech, CEA, UMR 7462 CNRS, ETSF, F-91128 Palaiseau, France. Ecole Polytech, CEA, UMR 7462 CNRS, Solides Irradies Lab, F-91128 Palaiseau, France.

DOI10.1103/PhysRevB.74.235431
Palummo, M, Pulci, O, Marini, A, Reining, L, Del Sole, R
Year of Publication2006
JournalPhys. Rev. B
Volume74
URLhttp://dx.doi.org/10.1103/PhysRevB.74.235431
Keywordspaper
Abstract

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 C(100)2x1 surface is calculated and compared with the existing experimental results. We show how many-body effects, namely self-energy, local-fields, and electron-hole interaction, deeply influence the dielectric response and how their inclusion is essential to have good agreement with the experiment. A strong anisotropic behavior of local-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.

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