We compute, from first principles, the dielectric function and electron energy loss spectrum (EELS) of an oxidized Si(100)(2×2) surface. The surface local field effect is found to be important for the calculation of EELS in a reflection geometry. Theoretical problems that arise when local fields are included within the periodic supercell approach are discussed in detail.

DIELECTRIC RESPONSE AND ELECTRON ENERGY LOSS SPECTRA OF AN OXIDIZED Si(100)-(2×2) SURFACE

HOGAN, C.
Ultimo
2008

Abstract

We compute, from first principles, the dielectric function and electron energy loss spectrum (EELS) of an oxidized Si(100)(2×2) surface. The surface local field effect is found to be important for the calculation of EELS in a reflection geometry. Theoretical problems that arise when local fields are included within the periodic supercell approach are discussed in detail.
2008
Istituto di Struttura della Materia - ISM - Sede Roma Tor Vergata
EELS, Si(100), DFT, oxygen
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Utilizza questo identificativo per citare o creare un link a questo documento: https://hdl.handle.net/20.500.14243/511837
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