An. Nazarov et al., ENHANCED ACTIVATION OF IMPLANTED DOPANT IMPURITY IN HYDROGENATED CRYSTALLINE SILICON, Physical review. B, Condensed matter, 58(7), 1998, pp. 3522-3525
We propose a physical model for enhanced activation of (implanted) dop
ant atoms in crystalline Si when the Si vacancy contains atomic hydrog
en. Calculations of the potential barriers for inserting the interstit
ial phosphorus dopant into both hydrogenated and unhydrogenated vacanc
y sites of the crystalline Si dependent on the charge state of the hyd
rogenated vacancy, the hydrogen localization, and the transport direct
ion of the interstitial atom to the vacancy are reported using the sel
f-consistent field molecular-orbital linear combination of atomic orbi
tals technique in the neglect of diatomic differential overlap approac
h. The results suggest a decrease of the activation temperature for th
e phosphorus atoms by more than 300 degrees C.