An atomistic view of structural and electronic properties of rare earth ensembles on Si(0 0 1) substrates

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• 作者：Aniketa Shinde ; Juexian Cao ; Sangyeob Lee ; Ruqian Wu ; Regina Ragan
• 刊名：Chemical Physics Letters
• 出版年：2008
• 出版时间：4 December 2008
• 年：2008
• 卷：466
• 期：4-6
• 页码：159-164
• 全文大小：691 K

文摘

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.