New Potential Energy Functions for Diamond and α-Tin Crystals

Chin. Phys. Lett.

1998, Vol. 15

Issue (5): 360-361 DOI:

Original Articles

New Potential Energy Functions for Diamond and α-Tin Crystals

LIU Xin-hou;ZHEN Zhen;ZHANG Jian-cheng

Institute of Photographic Chemistry, Chinese Academy of Sciences, Beijing 100101

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LIU Xin-hou, ZHEN Zhen, ZHANG Jian-cheng 1998 Chin. Phys. Lett. 15 360-361

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Abstract A new model of potential energy functions for atomic solids is given and applied to diamond and α-tin crystals. In the new model, a factor expressing the characters of covalent bonds has been included. Therefore it is suitable for covalent crystals. New pontentials of C and α-Sn crystals accurately reproduce experimental elastic constants and phonon dispersion curves and so on. The set of new potentials is accurate enough for computer simulations.

Keywords: 61.66.Bi 34.20.Mq

Published: 01 May 1998

PACS:	61.66.Bi	(Elemental solids)
	34.20.Mq

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y1998/V15/I5/0360

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	ZHEN Zhen
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