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


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.


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

Full Text:


DOI: https://doi.org/10.15625/0868-3166/27/1/8912 Display counter: Abstract : 186 views. PDF : 90 views.


  • There are currently no refbacks.

Editorial Office:

Communications in Physics

1st Floor, A16 Building, 18B Hoang Quoc Viet Street, Cau Giay District, Hanoi, Vietnam

Tel: (+84) 024 3791 7102 

Email: cip@vjs.ac.vn

Copyright by