INVESTIGATION OF THE ANHARMONIC CORRELATION EFFECTS BY DEBYE MODEL IN X-RAY ABSORPTION FINE STRUCTURE SPECTRA–APPLICATION TO A TWO-COMPONENT ALLOY
DOI:
https://doi.org/10.37569/DalatUniversity.10.3.732(2020)Keywords:
Anharmonic effective potential, Correlation function, Debye model, Debye-Waller factor, Intermetallic alloy.Abstract
The displacement correlation function in extended X-ray absorption fine structure spectra has been determined based on the Debye-Waller factor. The anharmonic correlated Debye model and the harmonic Debye model have been used to build analytical expressions of mean square displacement, mean square relative displacement, and correlation function dependence on temperature and doping ratio. The thermodynamic quantities have been calculated based on the effective anharmonic potential, including the interaction of absorbing and scattering atoms with their nearest neighbors in an atom cluster. The analytical expressions have been applied to face-centered cubic crystals and their alloys. Numerical results for crystalline copper (Cu) and copper-silver alloys (CuAg) of 72% and 50% ratios agree well with experimental values and other studies. The study has contributed to our knowledge of the thermodynamic properties of 50:50 CuAg doped alloy at low temperatures.
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References
Beni, G., & Platzman, P. M. (1976). Temperature and polarization dependence of extended x-ray absorption fine-structure spectra. Physical Review B, 14(4), 1514-1518. https://doi.org/10.1103/PhysRevB.14.1514.
Frenkel, A. I., & Rehr, J. J. (1993). Thermal expansion and x-ray-absorption fine-structure cumulants. Physical Review B, 48(1), 585-588. https://doi.org/10.1103/PhysRevB.48.585.
Greegor, R. B., & Lytle, F. W. (1979). Extended x-ray absorption fine structure determination of thermal disorder in Cu: Comparison of theory and experiment. Physical Review B, 20(12), 4902-4907. https://doi.org/10.1103/PhysRevB.20.4902.
Hung, N. V., & Rehr, J. J. (1997). Anharmonic correlated Einstein-model Debye-Waller factors. Physical Review B, 56(1), 43-46. https://doi.org/10.1103/PhysRevB.56.43.
Koningsberger, D. C., & Prins, K. (1988). X-ray Absorption: Principles, applications, techniques of EXAFS, SEXAFS and XANES. New York, USA: Wiley Publishing.
Kraut, J. C., & Stern, W. B. (2000). The density of gold-silver-copper alloys and its calculation from the chemical composition. Gold Bulletin, 33(2), 52-55. https://doi.org/10.1007/BF03216580.
Nguyen, B. D. (2020). Influence of temperature and pressure on cumulants and thermodynamic parameters of intermetallic alloy based on anharmonic correlated Einstein model in EXAFS. Physica Scripta, 5(7). https://doi.org/10.1088/1402-4896/ab90bf.
Nguyen, B. D., & Vu, Q. T. (2019). Dependence of cumulants and thermodynamic parameters on temperature and doping ratio in extended X-ray absorption fine structure spectra of cubic crystals. Physica B: Condensed Matter, 55(2), 1-5. https://doi.org/10.1016/j.physb.2018.09.038.
Nguyen, V. H., Nguyen, B. T., Nguyen, B. D., Dương, D. S., & Tong, S. T. (2014). Debye-Waller factor and correlation effects in XAFS of cubic crystals. Journal of Physical Science and Application, 4(1), 43-49. https://doi.org/10.13140/2.1.1296.1927.
Nguyen, V. H., & Dinh Q. V. (2019). Correlation effects studied based on Debye Waller factors: Application to fcc crystals. Modern Physics Letters B, 33(20), 1-10. https://doi.org/10.1142/S0217984919502373.
Nguyen, V. H., Nguyen, B. T., & Kirchner, B. (2010). Anharmonic correlated Debye model Debye–Waller factors. Physica B, 405(11), 2519-2525. https://doi.org/10.1016/j.physb.2010.03.013.
Okube, M., & Yoshiasa, A. (2001). Anharmonic effective pair potentials of group VIII and Ib fcc metals. Journal of Synchrotron Radiation, 8(2), 937-939. https://doi.org/10.1107/s0909049500021051.
Pirog, I. V., Nedoseikina, T. I., Zarubin, I. A., & Shuvaev, A. T. (2002). Anharmonic pair potential study in face-centred-cubic structure metals. Journal of Physics: Condensed Matter, 14(18), 1825-1832. https://doi.org/10.1088/0953-8984/14/8/311.
Stern, E. A., Livins, P., & Zhang, Z. (1991). Thermal vibration and melting from a local perspective. Physical Review B, 43(11), 8850-8860. https://doi.org/10.1103/PhysRevB.43.8850.
Schowalter, M., Rosenauer, A., Titantah, J. T., & Lamoen, D. (2009). Computation and parametrization of the temperature dependence of Debye–Waller factors for group IV, III–V and II–VI semiconductors. Acta Cryst, A65, 5-17. https://doi.org/10.1107/ S0108767308031437.
Tranquada, J. M., & Ingalls, R. (1983). Extended X-ray absorption fine-structure study of anharmonicity in CuBr. Physical Review B, 28(6), 3520-3528. https://doi.org/10.1103/PhysRevB.28.3520.
Yokoyama, T., Sasukawa, T., & Ohta, T. (1989). Anharmonic interatomic potentials of metals and metal bromides determined by EXAFS. Japanese Journal of Applied Physics, 28(10), 1905-1908. https://doi.org/10.1143/JJAP.28.1905.
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Copyright (c) 2020 Nguyễn Bá Đức, Vũ Quang Thọ, Trịnh Phi Hiệp, Nguyễn Văn Nghĩa, Phạm Thị Minh Hạnh, Vũ Thị Thanh Hà.
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