X-ray Absorption Fine Structure of bcc Crystals Studied Based on High-order Expanded Debye-Waller Factors

Nguyen Van Hung, Trinh Thi Hue, Ha Dang Khoa, Tong Sy Tien
Author affiliations

Authors

  • Nguyen Van Hung Department of Physics, Hanoi University of Science. 334 Nguyen Trai, Thanh Xuan, Hanoi, Vietnam
  • Trinh Thi Hue School of Engineering Physics, Hanoi University of Science and Technology. 1 Dai Co Viet, Hanoi, Vietnam
  • Ha Dang Khoa School of Engineering Physics, Hanoi University of Science and Technology. 1 Dai Co Viet, Hanoi, Vietnam
  • Tong Sy Tien Department of basic sciences, University of fire fighting & prevention, 243 Khuat Duy Tien, Thanh Xuan, Hanoi, Vietnam

DOI:

https://doi.org/10.15625/0868-3166/27/1/8912

Keywords:

Debye-Waller factor, effective potential, correlated Debye model, XAFS, bcc crystals

Abstract

In this work, X-ray absorption fine structure (XAFS) of bcc crystals and it Fourier transformmagnitude have been studied based on the anharmonic correlated Debye model high-order expandedDebye-Waller factors. The many-body effects are taken into account in the present one-dimensionalmodel based on the anharmonic effective potential that includes interactions of absorber andbackscatterer atoms with their first shell near neighbors, where Morse potential is assumed to describethe single-pair atomic interaction. Analytical expressions of four first temperature-dependent cumulantsof bcc crystals have been derived using the many-body perturbation approach. The obtained cumulantsare applied to calculating XAFS spectra and their Fourier transform magnitudes. Numerical results forFe are found to be in good agreement with experiment.

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Published

23-05-2017

How to Cite

[1]
N. V. Hung, T. T. Hue, H. D. Khoa and T. S. Tien, X-ray Absorption Fine Structure of bcc Crystals Studied Based on High-order Expanded Debye-Waller Factors, Comm. Phys. 27 (2017) 55. DOI: https://doi.org/10.15625/0868-3166/27/1/8912.

Issue

Section

Papers
Received 24-11-2016
Accepted 03-04-2017
Published 23-05-2017