Molecular dynamics study of epitaxial growth of silicon thin film via a plasma CVD

等离子体CVD外延生长硅薄膜的分子动力学研究

• 批准号: 23656143
• 负责人: SHIBUTA Yasushi
• 金额: $ 2.08万
• 依托单位: The University of Tokyo
• 依托单位国家: 日本
• 项目类别: Grant-in-Aid for Challenging Exploratory Research
• 财政年份: 2011
• 资助国家: 日本
• 起止时间: 2011 至 2012
• 项目状态: 已结题
• 来源: https://kaken.nii.ac.jp/grant/KAKENHI-PROJECT-23656143/
• 关键词: 分子動力学法; シリコン; エピタキシー; Chemical Vapor Deposition; ナノク ラスター; CVD; ナノクラスター

In this project, the initial formation process of Si precursor clusters during the thin film synthesis via a plasma CVD is investigated by the molecular dynamics (MD) simulation. The threshold of conditions for the epitaxial/grain growth is estimated from the simulation results. In addition, the MD simulation of the multiple deposition process of Si clusters is performed and it is revealed that the successive deposition of smaller cluster leads to the epitaxial growth. Moreover, the effect of hydrogen on the Si epitaxial growth is discussed. From the MD simulation, it is revealed that epitaxial growth can be occurred with SiH clusters, which are smaller than the Si cluster used for aforementioned simulation.

在该项目中，通过分子动力学（MD）模拟研究了等离子体CVD薄膜合成过程中Si前驱体团簇的初始形成过程。外延/晶粒生长条件的阈值是根据模拟结果估计的。此外，对Si团簇的多次沉积过程进行了MD模拟，结果表明较小团簇的连续沉积导致了外延生长。此外，还讨论了氢对Si外延生长的影响。从MD模拟中可以看出，SiH团簇可以发生外延生长，该SiH团簇比用于上述模拟的Si团簇更小。

项目成果

A molecular dynamics study of effects of size and cooling rate on the structure of molybdenum nanoparticles

尺寸和冷却速率对钼纳米颗粒结构影响的分子动力学研究

• 发表时间: 2012
• 期刊: Journal of Thermal Science and Technology
• 影响因子: 1.2
• 作者: T. Watanabe;Y. Sakai;K. Nagata and O. Terashima;森西洋平;K. Nakabe;Y. Shibuta
• 通讯作者: Y. Shibuta

Molecular dynamics study of nanoclusters' role in mesoplasma epitaxy

纳米团簇在中质外延中作用的分子动力学研究

• 发表时间: 2011
• 作者: L.-W. Chen;Y. Shibuta;M. Kambara;T. Yoshida
• 通讯作者: T. Yoshida

Understanding phase transformation in metal nanoparticles from atomic viewpoint

从原子角度理解金属纳米粒子的相变

• 发表时间: 2012
• 作者: A.Sekimoto;G.Kawahara;K.Sekiyama;M.Uhlmann;A.Pinelli;Y. Shibuta
• 通讯作者: Y. Shibuta

Nanocluster dynamics in fast rate epitaxy under mesoplasma condition

• DOI: 10.1016/j.cplett.2013.02.005
• 发表时间: 2013-03-28
• 期刊: CHEMICAL PHYSICS LETTERS
• 影响因子: 2.8
• 作者: Chen, L. W.;Shibuta, Y.;Yoshida, T.
• 通讯作者: Yoshida, T.

Nanocluster dynamic simulation during high rate epitaxial deposition under mesoplasma condition

中质条件下高速外延沉积纳米团簇动态模拟

• 发表时间: 2012
• 作者: L.-W. Chen;Y. Shibuta;M. Kambara;T. Yoshida
• 通讯作者: T. Yoshida