An atomistic view of structural and electronic properties of rare earth ensembles on Si(001) substrates
Abstract
Synergistic experimental and theoretical studies of low coverage adsorption geometries of rare earth adatoms on Si(0 0 1) were performed. Density functional calculations showed charge transfer from adatoms to Si(0 0 1) and explained observed bias dependence in scanning tunneling microscopy images. Comparison of STM simulations with empty states STM data revealed a direct correlation between coverage and surface reconstructions; the (4 × 8) reconstruction is a low coverage precursor to (2 × 4) reconstruction. Charge transfer from adatom to substrate was also confirmed by Kelvin probe force microscopy; contact potential difference measurements of Dy/Si(0 0 1) reveal a 0.28 eV higher surface potential than that of (2 × 1) reconstructed Si. © 2008 Elsevier B.V. All rights reserved.
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