Abstract—Molecular dynamics simulation of the reactions between gaseous fluorine atoms and silicon are performed using the development Tersoff-Brenner potential at the temperature from 500K to 1200K. The simulation results show that the Si surface temperature significantly affects the F etching. For instance, as the surface temperature rises up, the numbers of F atoms deposited on and scattered by Si surface decrease, at the same times, the number of the sputtering fluorine atoms and the reactive F atoms with surface to produce volatile compounds increase. In addition, the quantity of the F etched Si atoms increased with an increase of the surface temperature.

Index Terms—Molecular dynamics, etching, temperature, silicon, fluorine.

J. Wang and T. Ren are with the Institute of Microelectronics, Tsinghua University. Beijing, China. (e-mail. jlu982309@ 126.com, RenTL@tsinghua.edu.cn)
Y. Song and X. Deng are with the State Key Laboratory on Intelligent Technology and Systems, Tsinghua National Laboratory for Information Science and Technology, Department of Computer Science and Technology, Tsinghua University, Beijing,China (e-mail. songyixu@163.com, dixiaodeng@gmail.com)
J. Li is with the Department of Physics, University of Science and Technology, Beijing, China (e-mail. jinchunn@yahoo.com.cn)

Cite: Jianwei Wang, Yixu Song, Xiaodi Deng, Jinchun Li, and Tianling Ren, "Molecular Dynamics Simulations of Influence of Surface Temperature on Fluorine Etching of Silicon," International Journal of Applied Physics and Mathematics  vol. 3, no. 1, pp. 66-69, 2013.