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Validity of the HREELS surface dipole selection rule at semiconductor surfaces: Si(001)-(2×1)H/D

Published 8 June 2012 Europhysics Letters Association
, , Citation C. H. Patterson 2012 EPL 98 66001 DOI 10.1209/0295-5075/98/66001

0295-5075/98/6/66001

Abstract

The surface loss function in the HREELS dipole scattering cross-section is calculated for Si(001)-(2×1)H and D surfaces using first-principles methods. Experimental spectra of these well-studied systems can only be explained if contributions from modes which induce polarization parallel to the surface are included. This relaxation of the surface dipole selection rule underlines the importance of first-principles calculations of vibrational spectral intensities at semiconductor surfaces.

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10.1209/0295-5075/98/66001