Mr. Baklanov et al., THE ROLE OF THE NEGATIVELY CHARGED (SI3SI-F-2)(-) COMPLEXES IN INTERACTIONS OF FLUORINE WITH THE (111) SURFACE OF SILICON, Journal of structural chemistry, 37(1), 1996, pp. 11-17
We used the AM1 quantum chemical and cluster models to study the mecha
nism of formation of a SiF2-like layer and dissociation of the Si-Si b
ond during the interaction of atomic fluorine with the (III) surface o
f silicon. It is shown that the negatively charged (Si-3-Si-F-2)(-) co
mplex with the five-coordinated centered silicon atom plays an importa
nt part in these processes. The above complex participates in the inte
raction of atomic fluorine with silicon to form a SiF2-like layer and
break the subsurface Si-Si bonds without penetration of fluorine atoms
into the subsurface silicon layers.