Structural and electronic properties of the SiC (100) surfaces

• Autor(a) principal: Soares,J. S.
• Data de Publicação: 2006
• Outros Autores: Alves,H. W. Leite
• Tipo de documento: Artigo
• Idioma: eng
• Título da fonte: Brazilian Journal of Physics
• Texto Completo: http://old.scielo.br/scielo.php?script=sci_arttext&pid=S0103-97332006000300017
• topic: SiC (100); Ab initio results; Structural and electronic properties

In this work, we present our preliminary ab initio results for the structural and electronic properties of both Si- and C-terminated SiC (100) surfaces in (2×1) and c(2×2) reconstruction patterns. Based on our results, we found that the Si-terminated surfaces are dominated by weak bonded Si-dimers, which are stabilized only at Si-rich conditions, leading to (3×2) or more complex reconstruction patterns, as verified experimentally. Also, our results show that the C-terminated surfaces is characterized by strong triply-bonded C-dimers, in a c(2×2) reconstruction pattern, which consists of C2 pairs over Si bridge sites, in agreement with experimental results.