SIMULATIONS OF METALORGANIC CHEMICAL VAPOR-DEPOSITION AND OF CLUSTER FORMATION ON GAAS Academic Article uri icon

abstract

  • A new technique for realistic simulations of molecular motion has been improved in several respects. Most dramatically, the computational expense has been reduced by another order of magnitude, through a mathematical procedure that reduces the original pair of complex nonHermitian matrices to a single real symmetric matrix. Simulations have been performed for Ga(CH3)3, Al(CH3)3, and As(CH3)3 molecules and for four-atom Al and Sb clusters on GaAs(110). A variety of initial configurations after chemisorption are observed for each of these systems. The energetically most stable configuration observed for Ga(CH3)3 is one in which this molecule has a highly symmetric planar geometry, with the plane of the molecule perpendicular to the surface. Dissociation is not observed in these simulations, which are at low temperature and which last for only 1 ps. In most cases the trimethyl molecules tend to perturb the semiconductor surface only weakly. Al shows a much stronger tendency to cluster than Au. Also, the Al atoms within the cluster tend to lie at sites of high symmetry, as defined by the substrate. For Sb clusters, states are observed in the upper part of the band gap.

published proceedings

  • JOURNAL OF VACUUM SCIENCE & TECHNOLOGY B

author list (cited authors)

  • MENON, M., & ALLEN, R. E.

citation count

  • 3

complete list of authors

  • MENON, M||ALLEN, RE

publication date

  • July 1989