Thermodynamic and correlation effects in atomic vibration of bcc crystals containing dopant atom

Authors:	Nguyen, Van Hung Ho, Khac Hieu Nguyen, Cong Toan
Keywords:	Thermodynamic effects;correlation effects;atomic vibration;dopant atom
Issue Date:	2006
Publisher:	H. : ĐHQGHN
Series/Report no.:	Vol. 22;No. 1 (2006)
Abstract:	A new procedure for calculation and analysis of thermodynamic and correlation effects of bcc crystals under in fluence of dopant atom in the X-ray Absorption Fine Structure (XAFS) has been developed. Analytical expression for the Displacement-displacement Correlation Function (DCF) CR has been derived based on the derived Mean Square Relative Displacement (MSRD) 2 Ơ2 and Mean Square Displacement (MSD) u of bcc crystals containing dopant atom. Numerical calculations have been carried out for Fe doped by w and by Cr atom. They are found to be in good agreement with experiment.
Description:	p. 26-32
URI:	http://repository.vnu.edu.vn/handle/VNU_123/57779
ISSN:	2588-1124
Appears in Collections:	Mathematics and Physics