搜索

x

留言板

尊敬的读者、作者、审稿人, 关于本刊的投稿、审稿、编辑和出版的任何问题, 您可以本页添加留言。我们将尽快给您答复。谢谢您的支持!

姓名
邮箱
手机号码
标题
留言内容
验证码

动力学研究AlN/α-Al2O3(0001)薄膜生长初期的吸附与扩散

杨春 冯玉芳 余毅

引用本文:
Citation:

动力学研究AlN/α-Al2O3(0001)薄膜生长初期的吸附与扩散

杨春, 冯玉芳, 余毅

Dynamics study of the adsorption and diffusion in early growth stage of AlN/α-Al2O3(0001) films

Yang Chun, Feng Yu Fang, Yu Yi
PDF
导出引用
  • 采用基于第一性原理的从头计算分子动力学方法,计算了300—800℃下AlN吸附过程与系统能量、动力学轨迹以及扩散系数.研究表明,吸附过程由物理吸附、化学吸附和表面稳定态三个阶段组成,在吸附成键过程中,温度越高,粒子平均表面扩散能力增强.N原子的扩散系数大于Al原子的扩散系数,尤其是在物理吸附阶段.在较高温度条件下(大于700℃),N的解吸附作用明显增强,不利于AlN的稳定吸附生长,500—700℃之间的温度有利于AlN在α-Al2O3(0001)表面的稳定吸附生
    The research of temperature effect on the surface adsorption and diffusion is an important problem for the initial growth mechanism of AlN/α-Al2O3(0001) thin films. Using the ab initio molecular dynamics method based on the first principles, the adsorption process, system energy, dynamic track and the diffusion coefficient are calculated at temperatures from 300℃ to 800℃. The results indicate that the adsorption process can be divided into three stages, the physical adsorption, the chemical adsorption and the stable surface growth state. With the temperature increasing, the average diffusivity of the particles at α-Al2O3(0001) surface is enhanced in the bonding process. The diffusion coefficient of N atom is higher than that of the Al atom, especially in the physical adsorption stage. At higher temperatures (over 700℃), the role of desorption of the N atom is markedly strengthened, so it is unfavorable to the stable absorption of AlN. The temperature between 500℃ and 700℃ is beneficial to the stable adsorption and the growth of the AlN on α-Al2O3(0001) surface.
    • 基金项目: 国家国防“973”基金(批准号:61363),四川省青年科技基金(批准号:07ZQ026-021)资助的课题.
计量
  • 文章访问数:  7580
  • PDF下载量:  1192
  • 被引次数: 0
出版历程
  • 收稿日期:  2008-07-06
  • 修回日期:  2008-09-07
  • 刊出日期:  2009-05-20

/

返回文章
返回