International Journal of Modern Physics and Applications
Articles Information
International Journal of Modern Physics and Applications, Vol.1, No.2, May 2015, Pub. Date: May 20, 2015
Thermodynamic Properties and XAFS Debye Waller Factors of Metallic Nickel
Pages: 32-38 Views: 1752 Downloads: 618
[01] Nguyen Van Hung, Department of Physics, College of Science, VNU-Hanoi, Nguyen Trai, Thanh Xuan, Hanoi, Vietnam.
[02] Dinh Quoc Vuong, Quang Ninh Education & Training Department, Nguyen Van Cu, Ha Long, Quang Ninh, Vietnam.
Thermodynamic properties and Debye-Waller factors of metallic Nickel described in terms of cumulant expansion up to the fourth order in X-ray absorption fine structure (XAFS) of metallic Nickel have been studied based on anharmonic correlated Debye model. Analytical expressions for dispersion relation, correlated Debye frequency and temperature, and four first XAFS cumulants have been derived which involve more information of phonons taken from integration over the phonon wave numbers varied in the first Brillouin zone. Derived anharmonic effective potential includes contributions of all nearest neighbors of absorber and backscattering atoms to take into account three-dimensional interaction and Morse potential parameters for describing single pair atomic interaction. Numerical results are found to be in good and reasonable agreement with experiment and with those of the other theories.
Thermodynamic Properties, XAFS Debye-Waller Factor, Cumulant Expansion
[01] Crozier E. D., Rehr J. J, and Ingalls R.X-ray Absorption. edited by D. C. Koningsberger andR. Prins (Wiley, New York, 1988).
[02] Hung N. V., Duc N. B., Frahm R. R. A New Anharmonic Factor and EXAFS including Anharmonic Contributions. J. Phys. Soc. Jpn. 2003; 72: 1254.
[03] Hung N. V. and Rehr J. J. Anharmonic correlated Einstein model Debye-Waller factors. Phys. Rev. B 1997,56: 43.
[04] Daniel M., Pease D. M., Hung N. V., Budnick J. D. Local force constants of transition metal dopants in a nickel host: Comparison to Mossbauer studies. Phys. Rev. B 2004; 68: 134414.
[05] Hung N. V., L. H. Hung L. H., Tien T. S., Frahm R. R. Anharmonic Effective Potential, Local Force Constant and EXAFS of HCP Crystals: Theory and Comparison to Experiment. Int. J. Mod. Phys. B 2008; 22: 5155.
[06] Hung N. V. Pressure-Dependent Anharmonic Correlated XAFS Debye-Waller Factors. J. Phys. Soc. Jpn. 2014; 83: 024802.
[07] Pirog I. V., Nedoseikina T. I., Zarubin A. I., Shuvaev A.T. Anharmonic pair potential study in face-centered cubic crystals. J. Phys.: Condens. Matter 2002; 14: 1825.
[08] Yokoyama T. Path-integral effective-potential method applied to extended x-ray-absorption fine-structure cumulants. Phys. Rev. B 1998; 57: 3423.
[09] Miyanaga T., Fujikawa T. Quantum Statistical Approach to Debye-Waller Factor in EXAFS, EELS and ARXPS. III. Application of Debye and Einstein Approximation” J. Phys. Soc. Jpn. 1994; 63: 3683.
[10] Frenkel A. I. and Rehr J. J. Thermal expansion and x-ray-absorption fine-structure cumulants. Phys. Rev. B 1993; 48: 585.
[11] Stern A., P. Livins, and Zhe Zhang. Thermal vibration and melting from a local perspective Phys. Rev. B 1991; 43: 8850.
[12] Kittel C. Introduction to Solid State Physics. (John-Wiley&Sons, Inc., New York, 1986), 6th ed.
[13] Maradudin A. A. Dynamical Properties of Solids. ed. by Horton G. K. and Maradudin A. A. (North Holland, Amsterdam, 1974) Vol. 1, p. 1.
[14] G. D. Mahan G. D. “Many-Particle Physics” (Plenum, New York, 1990) 2nded.
[15] Girifalco L. A. and Weizer W. G. Application of the Morse Potential Function to Cubic Metals. Phys. Rev. 1959; 114: 687.
MA 02210, USA
AIS is an academia-oriented and non-commercial institute aiming at providing users with a way to quickly and easily get the academic and scientific information.
Copyright © 2014 - 2017 American Institute of Science except certain content provided by third parties.