Vol. 27 No. 1 (2017)
Papers

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

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

Published 23-05-2017

Keywords

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

How to Cite

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

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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