MULTILAYER RELAXATION FEATURES ON (100) AND (111) SURFACE OF BETA-SIC

Multilayer relaxation features were investigated for beta-SiC surfaces . Calculations include (1 x 1), (2 x 1) and c(2 x 2) phases of the (10 0) surface, and the (1 x 1) structure of the (111) surface. For both C -terminated and Si-terminated surfaces, variations in the top 3 interl ayer spacings were calculated. The largest vertical displacement was c alculated for the top interlayer spacing of the (111) surface. In gene ral, it was found that too interlayer spacings contact, while the seco nd interlayer spacings expand moderately. The third interlayer spacing s, on the other hand, were found to exhibit very small amounts of cont raction. Dimerization energies and bond distances were also calculated for reconstructed phases of the (100) surface. Calculated results wer e compared with data from the literature.