Open AccessSCATTERING-THEORETICAL METHOD FOR THE RECONSTRUCTED β-SiC(100) SURFACE
Author(s) -
Qi Guo,
Fan Xi-Qing,
Zhang De-Xuan,
Bo Ma
Publication year - 1996
Publication title -
wuli xuebao
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.199
H-Index - 47
ISSN - 1000-3290
DOI - 10.7498/aps.45.1875
Subject(s) - materials science , asymmetry , scattering , surface (topology) , surface reconstruction , atomic physics , electronic band structure , molecular physics , atom (system on chip) , band gap , symmetry (geometry) , surface states , condensed matter physics , physics , optics , quantum mechanics , geometry , mathematics , computer science , embedded system
By using scattering-theoretical method, we have calculated the surface-band structure of ideal and × reconstructed β-SiC(100) surface, and the lay-, atom-and orbital-resolved densities of states. The results show that the major effects of reconstruction occur in the band-gap energy region, and the reconstructed Si and C terminated surfaces are semiconducting. Our calculated surface-band structure are in good agreement with experiments. According to the bonding states and localized state densities of two dimerized atoms, the dimeric symmetry of Si atoms and the dimeric asymmetry of C atoms have qualitatively been explained.