Application of a Simple Semi-empirical Interatomic Potential Model to Phonon Density of States of Fe<suB>3</suB>Al

Chin. Phys. Lett.

1999, Vol. 16

Issue (12): 914-916 DOI:

Original Articles

Application of a Simple Semi-empirical Interatomic Potential Model to Phonon Density of States of Fe₃Al

LIU Shao-jun^1,2;CAI Jun¹;DUAN Su-qing³;MA Ben-kun¹

¹Department of Physics, Beijing Normal University, Beijing 100875 ²CCAST (World Laboratory), P. O. Box 8730, Beijing 100080 ³Institute of Applied Physics and Computational Mathematics, Beijing 100080

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LIU Shao-jun, CAI Jun, DUAN Su-qing et al 1999 Chin. Phys. Lett. 16 914-916

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Abstract We proposed a simple analytical interatomic potential model by extending the framework of embedded-atom model to include the non-central three-body potentials. This model can be easily applied to treat transition metals and their alloys based on the very recently developed lattice inversion method. We used the model to calculate the phonon density of states and entropy of Fe₃AI, and the results were in agreement with the experimental data.

Keywords: 61.50.Lt 65.50.+m 63.20.Dj

Published: 01 December 1999

PACS:	61.50.Lt	(Crystal binding; cohesive energy)
	65.50.+m
	63.20.Dj

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https://cpl.iphy.ac.cn/ OR https://cpl.iphy.ac.cn/Y1999/V16/I12/0914

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	LIU Shao-jun
	CAI Jun
	DUAN Su-qing
	MA Ben-kun

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