摘要
采用经验紧束缚近似方法计算p(2×2)重构硅(100)表面单层台阶及纽结处的平衡结构并模拟单个硅原子在其上的沉积行为。根据计算绘制出SA台阶、成键SB台阶、未成键SB台阶,以及SB台阶中的纽结等结构附近的等沉积能量图,确定沉积束缚点和一些可能的扩散路径。研究分析表明附加原子难于沉积于SA台阶边壁,但容易穿越SB台阶并生长于台阶边壁或沉积在SB台阶的纽结处以形成晶体生长。这些研究结果对于今后的理论及实验进一步研究原子尺度的半导体工艺制造有较大意义的指导。
The deposition behavior of silicon adatom on the reconstructed Si（100） surface with single-layer step and kink has been simulated by the empirical tight-binding method. The adsorption energies around SA step, rebonded SB step, nonrebonded SB step and kink structure near SB step are specially mapped out in this paper, from which the favorite binding sites and several possible diffusion paths have been achieved. Our result shows that the adatom is difficult to deposit near SA step, but it is easy to diffuse across the SB steps and deposit on the edge of them or adhere to the recess of the kink. These will provide some useful guidance for further theoretical and experimental studies on the atomic-scale deposition in fabricating of semiconductor devices.
出处
《固体电子学研究与进展》
CAS
CSCD
北大核心
2005年第4期559-563,共5页
Research & Progress of SSE
关键词
台阶
纽结
沉积
扩散
经验紧束缚近似
step
kink
deposition
diffusion
empirical tight-binding
