Structural and Electronic Properties of the SiC (100) Surfaces
نویسندگان
چکیده
In this work, we present our preliminary ab initio results for the structural and electronic properties of both Siand 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.
منابع مشابه
Ab initio calculation of the structural and electronic properties of the SiC (100) Surfaces
In this work, we have calculated ab initio the structural and electronic properties of both the Cand Si-terminated SiC (100) surfaces in the c(2!2) and (2!1) reconstruction patterns, respectively. Based on our results, we found that the Si-terminated surfaces is dominated by weak bonded Si-dimers, which is stabilized only at Si-rich conditions, leading to a (3!2) or more complex reconstruction ...
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