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EXAFS Debye-Waller Factors of B2-FeAl Alloys
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This work develops the anharmonic correlated Debye model to study the temperature-dependent extended X-ray absorption fine structure (EXAFS) Debye-Waller factors (DWFs) of B2-FeAl alloys. We derived the analytical expressions of the EXAFS DWF and Debye frequency as functions of temperature. Numerical calculations were performed for Fe1-yAly alloys with various Al concentration (y = 0.35, 0.40, 0.45 and 0.50) in which Fe-Al alloys still maintained B2 structure. The good agreement between our theoretical results with previous data verifies our developed theory. Our calculations show that DWFs of Fe1-yAly alloys increase robustly when temperature and/or Al concentration in Fe1-yAly alloys increase. The increasing of DWF will cause the reduction of the amplitude of EXAFS.
Vietnam National University Journal of Science
Title: EXAFS Debye-Waller Factors of B2-FeAl Alloys
Description:
This work develops the anharmonic correlated Debye model to study the temperature-dependent extended X-ray absorption fine structure (EXAFS) Debye-Waller factors (DWFs) of B2-FeAl alloys.
We derived the analytical expressions of the EXAFS DWF and Debye frequency as functions of temperature.
Numerical calculations were performed for Fe1-yAly alloys with various Al concentration (y = 0.
35, 0.
40, 0.
45 and 0.
50) in which Fe-Al alloys still maintained B2 structure.
The good agreement between our theoretical results with previous data verifies our developed theory.
Our calculations show that DWFs of Fe1-yAly alloys increase robustly when temperature and/or Al concentration in Fe1-yAly alloys increase.
The increasing of DWF will cause the reduction of the amplitude of EXAFS.
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