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First‐principles analysis of He and H atom incidence onto hydrogen‐terminated Si(001) 2 × 1 surface
Author(s) -
Inagaki Kouji,
Hirose Kikuji,
Yasutake Kiyoshi
Publication year - 2008
Publication title -
surface and interface analysis
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.52
H-Index - 90
eISSN - 1096-9918
pISSN - 0142-2421
DOI - 10.1002/sia.2833
Subject(s) - kinetic energy , atom (system on chip) , epitaxy , chemistry , hydrogen atom , hydrogen , substrate (aquarium) , silicon , atomic physics , molecule , chemical vapor deposition , crystal (programming language) , analytical chemistry (journal) , physics , organic chemistry , alkyl , oceanography , layer (electronics) , quantum mechanics , computer science , programming language , embedded system , geology
In order to analyze the fundamental processes in atmospheric pressure plasma chemical vapor deposition, which has an ability to form silicon epitaxial films under low‐substrate‐temperature conditions, first‐principles microcanonical molecular‐dynamics simulations of collision process between plasma gas atoms (H and He) and Si(001) 2 × 1 hydrogen‐terminated surface are performed. In contrast to the He collision which results in simple bound, the formation of H 2 molecule with exothermally generated kinetic energy of 1.1 eV, and the absorption of H atom, are observed in the case of H collision. The generated H 2 molecule occasionally hits the adjacent H‐termination atom transferring a considerable amount of the kinetic energy of about 0.25 eV to the surface. It is suggested that this transferred energy might enhance the migration of reaction precursors, which is important for the improvement of the crystal quality of epitaxial films. In the comparison of induced energies to the surface, the collision process of H atom is more important than that of He. Copyright © 2008 John Wiley & Sons, Ltd.