In-situ observation of nitriding processes of evaporated-Ti thin films due to ion implantation in an analytical transmission electron microscope

Kasukabe, Yoshitaka*; Chen, Y.*; Yamamoto, Shunya; Yoshikawa, Masahito; Fujino, Yutaka*

The purpose of this work is to study changes of the crystallographic and electronic structures of Ti films by heating and by nitriding during N-implantation into Ti films, using in-situ transmission electron microscope equipped with the instrument for electron energy loss spectroscopy, and then to clarify the atomistic nitriding processes of Ti thin films due to the N-implantation with the aid of self-consistent charge discrete variational X molecular orbital calculations. It is clarified that the maximum concentration of N in Ti films during the N-implantation and the change of electronic structures near the fermi level, respectively, depend on the implantation temperature and the ratio of N/Ti in Ti films. Furthermore, taking into account the bonding interaction of Ti sublattices with ligand N atoms, the transformation mechanisms between hcp-Ti and fcc-Ti sublattices due to the implantation of N atoms are discussed.