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American Physical Society, Physical review B, 23(74)

DOI: 10.1103/physrevb.74.235431

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

This paper is available in a repository.
This paper is available in a repository.

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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)2×1 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.