Abstract： Surface relaxation and lattice dynamics of (100)Si have been studied using Tersoff-Dodson type Si potential. The average temperature of the lattice is studied as well. The temperature fluctuates with a frequency of 9.5x1012 Hz,, that is about the average frequency of the optical phonons in Si. The (100) Si surface relaxes inward by 0.86 Å, and a reduction of 19% in the first interlayer spacing is found.
XIA Yueyuan;TAN Chunyu;XING Yuelin;YANG Hong*;SUN Xiufang*;GONG Bin*. Molecular-Dynamics Simulation of Surface Relaxation for Tersoff-Dodson Type (100) Si[J]. 中国物理快报, 1994, 11(12): 751-753.
XIA Yueyuan, TAN Chunyu, XING Yuelin, YANG Hong*, SUN Xiufang*, GONG Bin*. Molecular-Dynamics Simulation of Surface Relaxation for Tersoff-Dodson Type (100) Si. Chin. Phys. Lett., 1994, 11(12): 751-753.
1994, Vol. 11 
