Study on properties and functionalization of nonstoichiometric silicon-titanium nitride and oxide

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In order to clarify atomistic growth processes of TiN_y films due to the implantation of nitrogen ions (N_2^+) with 62keV into Ti films, changes of the concentration of H and/or N atoms in Ti films, and of the crystallographic and electronic structures of the films by heating and by nitriding have been investigated by in-situ transmission electron microscope (TEM) equipped with electron energy loss spectroscopy (EELS), with the aid of molecular orbital calculations. By taking into account the bonding interaction of Ti sublattices with ligand N atoms, it is clarified that the TiN_y is epitaxially formed by the N-implantation into the hcp-Ti, through the epitaxial transformation of the hcp-Ti to fcc-Ti sublattice, partially inheriting the atomic arrangement of the hcp-Ti, and accompanying the occupation of O-sites of the transformed fcc-Ti by N atoms.