Epitaxial transformation of hcp–fcc Ti sublattices during nitriding processes of evaporated-Ti thin films due to nitrogen-implantation
Epitaxial transformation of hcp–fcc Ti sublattices during nitriding processes of evaporated-Ti thin films due to nitrogen-implantation
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氮注入导致蒸发钛薄膜氮化过程中 hcp-fcc 钛亚晶格的外延转变
DOI：
10.1016/j.jallcom.2011.10.113
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发表时间：
2013
期刊：
影响因子：
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通讯作者：
Y. Fujino
中科院分区：
文献类型：
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作者：
Yu Chen;Xiaoyi Feng;Y. Kasukabe;S. Yamamoto;M. Yoshikawa;Y. Fujino
用透射电子显微镜和分子轨道计算相结合的方法，通过原位观察，阐明了氮离子注入钛薄膜的原子化转变过程。在400 kV分析型高分辨透射电子显微镜与离子加速器相结合的装置上，将62keV的N_2~+离子注入到由择优取向的HCP-Ti和TiH_x组成的Ti薄膜中。因此，具有择优取向的氮化钛(微米)薄膜是通过继承沉积时HCP-Ti或TiHxN薄膜的部分原子排列和N原子占据八面体位置而外延形成的，这说明hcp-fcc钛亚晶格发生了外延转变。对注入过程中钛薄膜的电子结构分析表明，空间较大的HCP-Ti的八面体晶位的电子密度较低，导致N离子侵入八面体晶位。因此，hcp-fcc转变是由(0~0)面上<；0和1°·n0>；方向的剪切引起的，由Ti3d和N2p轨道结合形成的以杂化轨道为主的共价键的形成和Ti-Ti键的弱化促进的。
Atomistic transformation processes of Ti films due to N-implantation have been clarified through in-situ observations by using transmission electron microscope (TEM) along with molecular orbital calculations. The N2+ions with 62 keV are implanted into as-deposited Ti films which consist of hcp-Ti and TiHxwith preferred orientations, in the 400 kV analytic high resolution TEM combined with ion accelerators. Thus, titanium nitride (TiNy) films with preferred orientations are epitaxially formed by the inheritance of partial atomic arrangement of hcp-Ti or TiHxin as-deposited Ti films and by the occupation of octahedral sites by N atoms, which elucidates that epitaxial transformation of hcp–fcc Ti sublattices occurs. The analysis of electronic structure of Ti films during the implantation clarifies that octahedral sites of hcp-Ti with larger space have lower electron density, which leads to the invasion of N ions into octahedral sites. Thus, the hcp–fcc transformation is induced by the shear in the <0 1 · 0> direction on the (0 0 · 1) plane, promoted by the forming of covalent bonds mainly composed of hybridized orbitals due to combination of Ti3d and N2p orbitals, and by the weakening of Ti–Ti bonds.
DOI：
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发表时间：
2006
期刊：
Materia Japan 45-1
影响因子：
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作者：
K.Tanaka;Y.Komatsu;C-K.Choo;Y.Kasukabe
通讯作者：
Y.Kasukabe