Validity of the HREELS surface dipole selection rule at semiconductor surfaces: Si(001)-(2×1)H/D
School of Physics, Trinity College Dublin - Dublin 2, Ireland, EU
Accepted: 25 May 2012
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.
PACS: 68.49.-h – Surface characterization by particle-surface scattering / 63.22.-m – Phonons or vibrational states in low-dimensional structures and nanoscale materials
© EPLA, 2012