Molecular-Dynamics Simulation of Surface Relaxation for Tersoff-Dodson Type (100) Si

Chin. Phys. Lett.

1994, Vol. 11

Issue (12): 751-753 DOI:

Original Articles

Molecular-Dynamics Simulation of Surface Relaxation for Tersoff-Dodson Type (100) Si

XIA Yueyuan;TAN Chunyu;XING Yuelin;YANG Hong^*;SUN Xiufang^*;GONG Bin^*

Department of Physics, Shandong University, Jinan 250100 ^*Department of Computer Science, Shandong University, Jinan 250100

Cite this article:

XIA Yueyuan, TAN Chunyu, XING Yuelin et al 1994 Chin. Phys. Lett. 11 751-753

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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.

Keywords: 63.20.-e

Published: 01 December 1994

PACS:

63.20.-e

(Phonons in crystal lattices)

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y1994/V11/I12/0751

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	XIA Yueyuan
	TAN Chunyu
	XING Yuelin
	YANG Hong
	SUN Xiufang
	GONG Bin

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