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Theoretical study of SiH3-defect stability and formation on the H-saturated Si(100)1x1 surface

Published inPhysical review. B, Condensed matter and materials physics, vol. 46, no. 7, p. 4348-4351
Publication date1992
Abstract

We present first-principles calculations for the initial stages of etching of Si(100) by H atoms. We find that adsorbed SiH3 species [(SiH3(a)] on the H-saturated Si(100)1×1 surface have a negative formation energy. Our results also indicate that the Si-Si backbond breaking which gives rise to the formation of these SiH3(a) defects is possibly promoted by a bonding state between hydrogen and silicon atoms in the second layer.

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VITTADINI, Andrea et al. Theoretical study of SiH3-defect stability and formation on the H-saturated Si(100)1x1 surface. In: Physical review. B, Condensed matter and materials physics, 1992, vol. 46, n° 7, p. 4348–4351. doi: 10.1103/PhysRevB.46.4348
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ISSN of the journal1098-0121
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