Initial adsorption configurations of acetylene molecules on the Si(001) surface
作者： Wondong Kim , Hanchul Kim , Geunseop Lee , Young-Kyu Hong , Kidong Lee
DOI: 10.1103/PHYSREVB.64.193313
关键词: Molecule 、 Adsorption 、 Ab initio 、 Materials science 、 Dimer 、 Acetylene 、 Sigma 、 Atomic physics 、 Scanning tunneling microscope 、 Pseudopotential
摘要: Initial adsorption configurations of acetylene molecules on the Si(001) surface are investigated by scanning tunneling microscopy (STM) and ab initio pseudopotential calculations. Three distinctive features observed in STM images at low coverage. The comparison atomic resolution with simulation reveals that there basically two kinds di-$\ensuremath{\sigma}$ bonding configurations: (i) on-top over a single dimer (ii) end-bridge between successive dimers same row. third feature is identified to be pair occupying dimers. tetra-$\ensuremath{\sigma}$ not found. existence can resolve apparently conflicting results existing studies.
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