Programme

P.50 -- Poster, NCTP-43

Date: Wednesday, 1 August 2018

Time: 08:30 - 10:00

High-order expanded XAFS cumulants of DIA crystals on classical anharmonic correlated Einstein model

Tong Sy Tien (1), Nguyen Van Hung (2), Nguyen Tho Tuan (3), Nguyen Van Nam (3)

(1) University of Fire Fighting & Prevention; (2) VNU University of Science; (3) Hong Duc University

Temperature dependence of the high-order cumulants in the extended XAFS (X-ray Absorption Fine Structure) of DIA crystals have been studied based on anharmonic correlated Einstein model and classical statistical theory. Analytical expressions of thermodynamic parameters and the first four XAFS cumulants have been derived high-order anharmonic effective potential, where the Morse potential is used to characterize interaction between each pair of atoms and expanded to the fourth-order. Numerical results for Ge in the temperature range from 0 K to 900 K are found to be in good agreement with experimental values and the statistical moment method.

Presenter: Tống Sỹ Tien