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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
ISSN: 2588-1124
Appears in Collections:Mathematics and Physics

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