Ab initio calculation of many-body effects on the EEL spectrum of the C(100) surface
Title | Ab initio calculation of many-body effects on the EEL spectrum of the C(100) surface |
Publication Type | Palaiseau 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. |
DOI | 10.1103/PhysRevB.74.235431 |
Palummo, M, Pulci, O, Marini, A, Reining, L, Del Sole, R | |
Publisher | AMERICAN PHYSICAL SOC |
Year of Publication | 2006 |
Journal | Phys. Rev. B |
Volume | 74 |
Type of Work | Article |
URL | http://dx.doi.org/10.1103/PhysRevB.74.235431 |
Keywords | paper |
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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