Carbon-induced reconstructions on Si(111) investigated by RHEED and molecular dynamics

Carbon induced ()R30° reconstruction on Si(111) surface: a theoretical study

“…The adsorption of carbon atoms on Si(1 1 1) surface has also been studied by Koitzsch et al using semi-empirical molecular dynamic method [20]. They also found that the most stable structure is C-S 5 , but their optimized atomic structures of C-S 5 and C-H 3 are somewhat different from ours.…”

STM study of Si(1 1 1)7 × 7 reconstructed surface carbonization induced by acetylene

“…These nanostructures coexist with a ffiffi ffi 3 p · ffiffi ffi 3 p -R30°reconstruction present throughout the substrate terraces. We interpret the appearance of this reconstruction to be related to a long range ordered Si 1Àx C x substoichiometric alloy formation with at least 30% of carbon atoms content [23]. For the highest acetylene dose (7200 L), we find that nanostructures cover the entire surface and holes appear.…”

“…2). Notably, the 7 · 7 zones nearby the nanostructures lie below the ffiffi ffi -R30°reconstruction with the C atoms in the S 5 substitutional sites [22,23]. Recent theoretical calculations [28,29] have shown that this is the most thermodynamically stable configuration and this means that up to 1/3 monolayer of carbon atoms can be alloyed in ordered way in the first silicon sublayers, well above the solubility limit (a few percent) of carbon atoms in a silicon matrix.…”

“…This behavior can be ascribed to the higher amount of carbon atoms reacted with silicon due to two coexisting effects, namely the higher surface temperature and acetylene dose. Theoretical calculations performed to account for an amount of C atoms higher than 1/3 monolayer, predicted two possible stable configurations: one with three carbon atoms in the S 5 site [23], the other with carbon atoms both in S 5 and T 4 sites [29]. However, due to the fact that no STM images simulation has been performed, on the basis of only our experimental results it is difficult to identify the best fitting model.…”

Polarity determination and control of SiC grown on Si

“…In [48] it was shown that the early stage of the carbon interaction with the silicon surface led to the formation of a ( √ 3 × √ 3)R30 • − C Si(1 1 1) surface reconstruction. This surface reconstruction originates from carbon incorporated into the energetically favoured S 5 position [49][50][51]. If carbon is incorporated at this lattice site the Si atom is transferred to the silicon surface into T 4 position.…”