Molecular dynamics simulation of the role of hydrogenated Si clusters for fast rate mesoplasma epitaxy

• Published in: Journal of physics. D, Applied physics Applied physics, 2013-10, Vol.46 (42), p.425302-1-6
• Main Authors: Chen, L W, Shibuta, Y, Kambara, M, Yoshida, T
• Format: Article
• Language: English
• Subjects: Atomic and molecular clusters; Atomic and molecular physics; Clusters; Exact sciences and technology; Physics; Studies of special atoms, molecules and their ions; clusters
• ISSN: 0022-3727; 1361-6463
• DOI: 10.1088/0022-3727/46/42/425302

The formation dynamics of nano-sized hydrogenated Si (Si : H) clusters and their interaction with the Si(1 0 0) substrate have been investigated with molecular dynamics simulation using the Tersoff potential. Several nm-sized clusters comprising H atoms are obtained during rapid cooling of atomic Si and H vapour mixtures. Upon surface impingement, the Si : H clusters display higher degrees of deformation and atomic self-ordering than the Si clusters formed with no H atom incorporation. This is due to the movement of the high potential H atoms toward the cluster surface during deformation, not to the local heat generation by the atomic H recombination within the cluster.