A study on improvement and functionalization of non-stoichiometric silicon titanium nitride compounds

最近，有报道称，它的非固态钛腈化合物（TiN_y）的特性，例如电行为、扩散屏障、耐磨损等。不仅依赖于化学成分，而且还依赖于TiN_y薄膜和基底之间的方向关系。因此，对TiN_y薄膜的原子生长过程产生了很大的兴趣，以便按顺序整理原子生长过程以进行离子植入和控制方向，通过使用传输电子显微镜和电子能量损失光谱仪进行原位观测，通过使用传输电子显微镜和电子结构的电荷进行了观测。TiN_y在N植入的钛薄膜中基本生长，由nitriding both hcp-Ti和TiH_x。或在NaC 1（001）上沉积的Ti薄膜上仅含Hcp-Ti的外延方向，在房间温度或250 ℃下沉积。植入前和植入后的钛薄膜的电子结构特征指标，Hcp-Ti具有较大空间的电子密度，导致植入物的入侵进入Octahedral网站，HCP-Fcc转化与HCP-Ti原子排列的部分继承作用相关，在[01.0]方向上诱导[00.1]该飞机是由形成的强合债券主要由混合轨道组成的Ti 3d和N2 p组合而成的，并由Ti-Ti债券的削弱推动的。在离子植入中，钛复合膜的原子外延增长过程被明确了通过实验结果详细分析的方法，与电子结构的特征化组合，使其有可能增加以受控方向开发新的功能性钛复合膜，例如，Au/α-Sn系统中的TiN_y扩散障碍物，band-gap-controlled functionalized siti_xN_y systems。

Recently, it has been reported that properties of non-stoichiometric titanium nitride compounds (TiN_y), such as electrical conductivity, diffusion barrier, wear resistance, etc. depend not only on chemical composition, but also on orientation relationships between TiN_y films and substrates. Therefore, much interest has been focused on atomistic growth processes of TiN_y films.In order to clarify the atomistic growth processes due to ion implantation and to control the orientation, in-situ observations by using transmission electron microscope and electron energy loss spectroscope have been carried out, along with composition analysis and with the characterization of electronic structure. TiN_y has epitaxially grown in N-implanted Ti films by nitriding both hcp-Ti and TiH_x., or only hcp-Ti with epitaxial orientations in as-deposited Ti films on NaC1 (001) substrates at room temperature or 250 ℃. The characterizations of electronic structure of Ti films before and after implantation indicate that octahedral sites of hcp-Ti with larger space have higher electron density, which leads to the invasion of implanted ions into the octahedral sites, and that the hcp-fcc transformation accompanied with the partial inheritance of atomic arrangement of hcp-Ti is induced by the shear in <01・0> direction on (00・1) plane promoted by the forming of strong covalent bonds mainly consisted of hybridized orbitals due to combination of Ti3d and N2p, and by the weakening of Ti-Ti bonds. In conclusion, atomistic epitaxial growth processes of Ti compound films by ion implantation have been clarified by the approach of the detailed analysis of experimental results, combined with the characterization of electronic structure, which gives rise to a possibility to develop new functionalized Ti compound films with controlled orientations, for example, TiN_y diffusion barriers in Au/α-Sn systems, band-gap-controlled functionalized SiTi_xN_y systems.