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Start Over Author "Ceriotti M" Journal journal of physics: condensed matter
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4. Density functional study of the decomposition pathways of SiH3and GeH3at the Si(100) and Ge(100) surfaces

Author

Michele Ceriotti, Francesco Montalenti, Marco Bernasconi, Ceriotti, M, Montalenti, F, and Bernasconi, M

Subjects
Electronic straucture calcolations, density functional theory, surface chemical reactions, chemical vapour deposition, Silanes, Analytical chemistry, Heterojunction, Chemical vapor deposition, Activation energy, Condensed Matter Physics, Decomposition, Chemical reaction, chemistry.chemical_compound, Surface coating, chemistry, Desorption, General Materials Science, FIS/03 - FISICA DELLA MATERIA
Abstract

By means of first-principles calculations we studied the decomposition pathways of SiH3 on Ge(100) and of GeH3 on Si(100), of interest for the growth of crystalline SiGe alloys and Si/Ge heterostructures by plasma-enhanced chemical vapor deposition. We also investigated H desorption via reaction of two adsorbed SiH2/GeH2 species (beta(2) reaction) or via Eley-Rideal abstraction of surface H atoms from the impinging SiH3 and GeH3 species. The calculated activation energies for the different processes suggest that the rate-limiting step for the growth of Si/Ge systems is still the beta(2) reaction of two SiH2 as in the growth of crystalline Si.

Published
2012
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