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Volume 07 Issue 06 June 2024

Investigating Anharmonic XAFS Debye-Waller Factor of Crystalline Tungsten Based on Einstein Model
Nguyen Thi Minh Thuy
Faculty of Fundamental Sciences, University of Fire Prevention and Fighting, Hanoi 120602, Vietnam
DOI : https://doi.org/10.47191/ijmra/v7-i06-54

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ABSTRACT:

The anharmonic X-ray absorption fine structure (XAFS) Debye-Waller (DW) factor of the crystalline tungsten (W) has been investigated in the temperature-dependent. This DW factor is calculated in explicit forms using the quantum anharmonic correlated Einstein model developed from the correlated Einstein model based on the anharmonic effective potential and the quantum statistical theory. The numerical results of W in the temperature range from 0 to 900 K are in good agreement with those obtained by the other theoretical models and experiments at several temperatures. The analytical results show that the anharmonic correlated Einstein model is suitable for analyzing the experimental XAFS data of metals.

KEYWORDS:

XAFS DW factor, thermal disorders, crystalline tungsten, Einstein model

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Volume 07 Issue 06 June 2024

There is an Open Access article, distributed under the term of the Creative Commons Attribution – Non Commercial 4.0 International (CC BY-NC 4.0) (https://creativecommons.org/licenses/by-nc/4.0/), which permits remixing, adapting and building upon the work for non-commercial use, provided the original work is properly cited.


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