Journals
  Publication Years
  Keywords
Search within results Open Search
Please wait a minute...
For Selected: Toggle Thumbnails
COMPUTER SIMULATIONS OF THE INTERACTIONS BETWEEN C20 AND A RECONSTRUCTED SILICON (100)-(2×1) SURFACE
MAN Zhen-yong, FENG Xi-qi
CHINESE JOURNAL OF COMPUTATIONAL PHYSICS    2000, 17 (S1): 65-70.   DOI: 10.3969/j.issn.1001-246X.2000.01.012
Abstract354)      PDF (196KB)(1168)      
The interaction between a low energy C20 molecule and a reconstructed silicon (100)-(2×1) surface is simulated with a hybrid potential, which is a combination of the Tersoff potential and the repulsive KrC potential. After impacting of the silicon substrate, the C20 cluster is found to move along 〈110〉 direction as a rigid sphere. The collective motion of the C20 molecule can be explained by the anisotropic force field between the dimerized silicon surface and the C20 molecule. Different impact energies lead to different closet interaction distances between the C20 molecule and the silicon surface, which generate different distributions of the lateral force field. Changes in the force field lead to different kinetic behavior of the C20 along the 〈110〉 direction. Finally, the C20 comes to rest on the surface when its kinetic energy is consumed up. In the trough or on the top of a dimer are the two energy favored adsorption sites of the C20 on the silicon surface. The formation of C-Si bonds is an indication that strong bindings between the C20 and the silicon surface exist. These results are consistent with experimental findings of C20 molecules adsorbed on a reconstructed silicon surface.
Related Articles | Metrics