Molecular cluster studies of the crystal growth process in MBE and MO-MBE

The structure and thermodynamics of some gas phase molecular reactants [As:. As,. Ga(CH,)?] used in MBE (molecular beam epitaxy) and MO-MBE (metal-organic molecular beam epitaxy) has been studied by Hartree-Fock-Roothaan molecular-orbitals linear-comhination-of-atomic-orbitals self-consistent-field (HFR-MO-LCAO-SCF) ah initio methods. A first attempt to simulate the sticking of a gallium atom at the (100) surface of GaAs has also been made.