Theoretical study on misoriented diamond nucleations on Si(001) surface
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review
Author(s)
Detail(s)
Original language | English |
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Pages (from-to) | 1418-1422 |
Journal / Publication | Diamond and Related Materials |
Volume | 8 |
Issue number | 8-9 |
Publication status | Published - Aug 1999 |
Link(s)
Abstract
The misoriented diamond nucleations directly on Si(001) surfaces were theoretically studied by means of molecular orbital PM3 theory and molecular mechanics/dynamics. Particular attention has been paid to the deposition of hydrocarbon species in the first two carbon layers during a step-by-step simulation. Four metastable configurations have been revealed and the orientations of the corresponding diamond grains are parallel to the Si(001) surface but with in-plane rotations of 20° and 30°, respectively, with respect to the [110] direction. We attribute these misoriented configurations of nucleation to the origin of two satellite peaks at ca 20° and 30° of grain orientation distribution in experiment observed recently by us. © 1999 Elsevier Science S.A. All rights reserved.
Research Area(s)
- Diamond film, Grain misorientatiom, Molecular orbital theory, Nucleation
Citation Format(s)
Theoretical study on misoriented diamond nucleations on Si(001) surface. / Zhang, R. Q.; Zhang, W. J.; Sun, C. et al.
In: Diamond and Related Materials, Vol. 8, No. 8-9, 08.1999, p. 1418-1422.
In: Diamond and Related Materials, Vol. 8, No. 8-9, 08.1999, p. 1418-1422.
Research output: Journal Publications and Reviews › RGC 21 - Publication in refereed journal › peer-review