Atomic geometry of mixed Ge-Si dimers in the initial-stage growth of Ge on Si(001)2×1

Abstract

We have investigated quantitatively the geometry of mixed Ge-Si dimers on a single domain Si(001)2\ifmmode\times\else\texttimes\fi{}1 surface by azimuthal scanning core-level photoelectron diffraction. By analyzing Ge 3d diffraction patterns from Ge/Si(001) at 0.1 ML coverage using a concentric-shell multiple-scattering algorithm for photon energies of h\ensuremath{\nu}=90 and 136 eV, the bond length and tilt angle of the mixed Ge-Si dimer are determined to be 2.43\ifmmode\pm\else\textpm\fi{}0.10 \AA{} and 31\ifmmode^\circ\else\textdegree\fi{}\ifmmode\pm\else\textpm\fi{}2\ifmmode^\circ\else\textdegree\fi{}, respectively. It is also found that the mixed Ge-Si dimers are substitutional ones rather than ad-dimers. Another significant aspect of this work is that it demonstrates that photoelectron diffraction is able to probe the local environment of an adatom at submonolayer coverage even in the absence of long-range order.