Molecular dynamics study of deposition mechanism of cubic boron nitride
Molecular dynamics study of deposition mechanism of cubic boron nitride
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DOI：
10.1016/s1468-6996(01)00011-0
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发表时间：
2001-01
影响因子：
5.5
通讯作者：
H. Koga;Y. Nakamura;Masahiko Watanabe;T. Yoshida
中科院分区：
文献类型：
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作者：
H. Koga;Y. Nakamura;Masahiko Watanabe;T. Yoshida
我们对高能硼和氮粒子轰击石墨氮化硼 (gBN) 进行了分子动力学模拟，以研究离子轰击在离子/等离子体辅助沉积立方氮化硼 (cBN) 薄膜中的作用。我们发现，高能粒子与 gBN 的相互作用在 gBN 内部产生了四重协调局部结构（sp3 形成）。我们还发现，连续轰击会产生 sp3 结构簇，其中一些具有类似 cBN 的结构。基于这些结果，我们提出了 cBN 成核的原子尺度模型，其中连续的 sp3 形成将 gBN 转化为 cBN。
We have performed molecular dynamics simulations of bombardment of graphitic boron nitride (gBN) by energetic boron and nitrogen particles in order to examine the roles of ion bombardment in ion/plasma-assisted deposition of cubic boron nitride (cBN) thin films. We have found that the interaction of the energetic particles with gBN creates four-fold coordinated local structures (sp3-formation) inside gBN. We have also found that clusters of sp3-formations are created as a result of successive bombardment, some of which have cBN-like structures. On the basis of these results, we propose an atomic-scale model of cBN nucleation in which successive sp3-formation converts gBN into cBN.