The multiple scattering cluster (MSC) method has been employed to calculate the chlorine 1 s near edge X-ray absorption fine structure (NEXAFS) of the Cl adsorbed on GaAs(111) surface. A series of specially designed clusters have been used to mimic the Cl/GaAs(111) geometry for finding the local geometrical structures of the system. The physical origin of the peaks in NEXAFS spectra has been revealed. MSC calculation shows that the Cl atom is adsorbed on the top site, the Cl - Ga bond length is (0.213 ± 0.005) nm and the Ga - As bond length in surface layer is (0.235 ± 0.005) nm. The comparison between above results and those of EXAFS experiment and the Slab model calculation has been made and discussed.
|Number of pages||5|
|Journal||Acta Physico - Chimica Sinica|
|State||Published - Nov 2003|
- Cl/GaAs(111) surface
- Multiple-scattering cluster method(MSC)
- Near edge X-ray absorption fine structure (NEXAFS)