The Influence of Thermal Disorders on XAFS Debye-Waller Factor of Nickel
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The anharmonic X-ray absorption fine structure Debye-Waller factor of Nickel has been analyzed under the influence of thermal disorders. This Debye-Waller factor was calculated in explicit forms using the anharmonic correlated Debye model that developed from the correlated Debye model based on an anharmonic effective potential and the many-body perturbation approach. The thermodynamic parameters are derived from the influences on the absorbing and backscattering atoms caused by all their nearest neighbors in the crystal lattice with thermal vibrations. The numerical results of the Nickel in the temperature range from 0 to 800 K agree well with those obtained by the other theoretical models and experiments.
P. Fornasini, R. Grisenti, M. Dapiaggi, G. Agostini, and T. Miyanaga, Nearest-neighbour distribution of distances in crystals from extended X-ray absorption fine structure, Journal of Chemical Physics 147 (4) (2017) 044503.
P. Eisenberger and G. S. Brown, The study of disordered systems by EXAFS: Limitations, Solid State Communications 29 (6) (1979) 481-484.
I.V. Pirog, T.I. Nedoseikina, I.A. Zarubin, and A.T. Shuvaev, Anharmonic pair potential study in face-centered-cubic structure metals, Journal of Physics: Condensed Matter 14 (2022) 1825-1832.
R.B. Greegor and F.W. Lytle, Extended x-ray absorption fine structure determination of thermal disorder in Cu: Comparison of theory and experiment, Physical Review B 20 (12) (1979) 4902-4907.
N.V. Hung, C.S. Thang, N.B. Duc, D.Q. Vuong, and T.S. Tien, Temperature dependence of theoretical and experimental Debye-Waller factors, thermal expansion and XAFS of metallic Zinc, Physica B: Condensed Matter 521 (2017) 198-203.
J. Emsley, Nature’s Building Blocks: An A-Z Guide to the Elements, 2nd edition, Oxford: Oxford University Press, 2011.
N.V. Hung, N.B. Trung, and B. Kirchner, Anharmonic Correlated Debye Model Debye-Waller Factors, Physica B: Condensed Matter 405 (11) (2010) 2519-2525.
T.S. Tien, L.D. Manh, N.T.M. Thuy, N.C. Toan, N.B. Trung, L.V. Hoang, Investigation of anharmonic EXAFS parameters of Ag using anharmonic correlated Debye model under the effect of thermal disorders, Solid State Communications 388 (2024) 115545.
L.A. Girifalco and V.G. Weizer, Application of the Morse Potential Function to Cubic Metals, Physical Review 114 (3) (1959) 687-690.
N.V. Hung, T.S. Tien, N.B. Duc, D.Q. Vuong, High-order expanded XAFS Debye-Waller factors of HCP crystals based on classical anharmonic correlated Einstein model, Modern Physics Letters B 28 (21) (2014) 1450174.
T. Yokoyama, K. Kobayashi, T. Ohta, and A. Ugawa, Anharmonic interatomic potentials of diatomic and linear triatomic molecules studied by extended x-ray-absorption fine structure, Physical Review B 53 (10) (1996) 6111-6122.
N.V. Hung and J.J. Rehr, Anharmonic Correlated Einstein-Model Debye-Waller Factors, Physical Review B 56 (1) (1997) 43-46.
S.H. Simon, The Oxford Solid State Basics, 1st edition, Oxford: Oxford University Press, 2013.
I.L. Shabalin, Ultra-High Temperature Materials I, New York: Springer, 2014.
L. Tröger, T. Yokoyama, D. Arvanitis, T. Lederer, M. Tischer, and K. Baberschke, Determination of Bond Lengths, Atomic Mean-Square Relative Displacements, and Local Thermal Expansion by Means of Soft-X-Ray Photoabsorption, Physical Review B 49 (2) (1994) 888-903.
N.W. Ashcroft and N.D. Mermin, Solid State Physics, 1st edition. New York: Holt-Rinehart & Winston, 1976.
T.S. Tien, Advances in studies of the temperature dependence of the EXAFS amplitude and phase of FCC crystals, Journal of Physics D: Applied Physics 53 (11) (2020) 315303.
T.S. Tien, Analysis of EXAFS oscillation of FCC crystals using classical anharmonic correlated Einstein model, Radiation Physics and Chemistry 186 (2021) 109504.