High-pressure EXAFS Debye-Waller factors of metals
Main Article Content
Abstract
Abstract. The anharmonic correlated Debye model has been developed to investigate the pressure effects on the extended X-ray absorption fine structure (EXAFS) Debye-Waller factors of metals. The recent well-established Grüneisen parameter expressions have been applied to formulate the pressure-dependent analytical expressions of the effective spring constant, correlated Debye frequency and temperature. Combing with the anharmonic correlated Debye model, the expression of EXAFS Debye–Waller factor under pressure can be derived. Numerical calculations, performed for Fe and Cu metals show reasonable agreement with experiments.
Keywords:
Keywords:EXAFS, Debye-Waller factors, Debye model, Anharmonicity, Pressure
References
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[4] N. Van Hung, N. Bao Trung, B. Kirchner, Anharmonic correlated Debye model Debye-Waller factors, Phys. B Condens. Matter. 405 (2010) 2519–2525.
[5] A.I. Frenkel, J.J. Rehr, Thermal expansion and x-ray-absorption fine-structure cumulants, Phys. Rev. B. 48 (1993) 585–588.
[6] H.K. Hieu, V.V. Hung, Pressure-dependent EXAFS mean-square relative displacements of germanium and silicon crystals, High Press. Res. 33 (2013) 768–776.
[7] R. Boehler, Melting temperature, adiabats, and Grüneisen parameter of lithium, sodium and potassium versus pressure, Phys. Rev. B. 27 (1983) 6754–6762.
[8] H.K. Hieu, Melting of solids under high pressure, Vacuum. 109 (2014) 184–186.
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[10] H.K. Hieu, Volume and pressure-dependent thermodynamic properties of sodium, Vacuum. 120 (2015) 13–16.
[11] F. Birch, Finite elastic strain of cubic crystals, Phys. Rev. 71 (1947) 809–824.
[12] W.B. Holzapfel, Equations of State for Ideal and Real Solids Under Strong Compression, Europhys. Lett. 16 (1991) 67–72.
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[15] L.A. Girifalco, V.G. Weizer, Application of the Morse Potential Function to Cubic Metals, Phys. Rev. 114 (1959) 687–690.
[16] D.H. Huang, X.R. Liu, L. Su, C.G. Shao, R. Jia, S.M. Hong, Measuring Grüneisen parameter of iron and copper by an improved high pressure-jump method, J. Phys. D. Appl. Phys. 40 (2007) 5327–5330.
[17] O.L. Anderson, L. Dubrovinsky, S.K. Saxena, T. LeBihan, Experimental vibrational Grüneisen ratio values for ϵ-iron up to 330 GPa at 300 K, Geophys. Res. Lett. 28 (2001) 399–402.
[18] J. Freund, R. Ingalls, E.D. Crozier, Extended x-ray-absorption fine-structure study of copper under high pressure, Phys. Rev. B. 43 (1991) 9894–9905.