Theoretical study on misoriented diamond nucleations on Si(001) surface

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review

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Author(s)

Detail(s)

Original languageEnglish
Pages (from-to)1418-1422
Journal / PublicationDiamond and Related Materials
Volume8
Issue number8-9
Publication statusPublished - Aug 1999

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.

Research output: Journal Publications and ReviewsRGC 21 - Publication in refereed journalpeer-review