Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors

Tong Sy Tien; Le Viet Hoang; Nguyen Ngoc Thang; Bui Ba Manh; Nguyen Huu Hieu; Nguyen Thi Ngoc Anh; Duong Thanh Cong; Nguyen Hong Nhung; Nguyen Thi Thanh Nhan

doi:doi:10.11648/j.aas.20200503.13

Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors

Tong Sy Tien, Le Viet Hoang, Nguyen Ngoc Thang, Bui Ba Manh, Nguyen Huu Hieu, Nguyen Thi Ngoc Anh, Duong Thanh Cong, Nguyen Hong Nhung, Nguyen Thi Thanh Nhan

Published in Advances in Applied Sciences (Volume 5, Issue 3)

Received: 25 June 2020 Accepted: 14 July 2020 Published: 5 August 2020

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Abstract

The extended X-ray absorption fine structure (EXAFS) has been developed into a powerful technique and is widely applied to determine many structural parameters and dynamic properties of materials. The EXAFS technique is now the technique of choice in many materials science investigations, and the EXAFS data analysis is being performed in many laboratories spread around the world. In this work, the anharmonic EXAFS spectra of crystalline nickel (Ni) has been analyzed based on the quantum anharmonic correlated Einstein model. The anharmonic EXAFS oscillation presented in terms of the Debye-Waller factors using the cumulant expansion approach up to the fourth-order. This calculation model has been developed from the high-order anharmonic effective potential that described the contribution of their nearest-neighbor atoms to the pair interaction potential. The analytical expressions of the anharmonic EXAFS cumulants are not only explicit forms but also satisfy all of their fundamental properties in temperature dependence. The analysis of the anharmonic EXAFS spectra was performed by evaluating the contributions of the cumulants to the amplitude reduction and the phase shift of the anharmonic EXAFS oscillation. The numerical results for Ni were in good agreement with those obtained using the other theoretical methods and experiment at various temperatures, which are useful for analyzing the experimental EXAFS data of the metal crystals.

Published in	Advances in Applied Sciences (Volume 5, Issue 3)
DOI	10.11648/j.aas.20200503.13
Page(s)	70-74
Creative Commons	This is an Open Access article, distributed under the terms of the Creative Commons Attribution 4.0 International License (http://creativecommons.org/licenses/by/4.0/), which permits unrestricted use, distribution and reproduction in any medium or format, provided the original work is properly cited.
Copyright	Copyright © The Author(s), 2020. Published by Science Publishing Group

Keywords

EXAFS Analysis, Einstein Model, Quantum Statistical Theory, Crystalline Nickel

References

[1]	F. W. Lytle, D. E. Sayers, and E. A. Stern, Phys. Rev. B 11, 4825 (1975).
[2]	G. Beni and P. M. Platzman, Phys. Rev. B 14, 1514 (1976).
[3]	P. Eisenberger and G. S. Brown, Solid State Commun. 29, 481 (1979).
[4]	R. B. Greegor and F. W. Lytle, Phys. Rev. B 20, 4902 (1979).
[5]	E. A. Stern, BA Bunker, and S. M. Heald, Phys. Rev. B 21, 5521 (1980).
[6]	P. A. Lee, P. H. Citrin, P. Eisenberger, and B. M. Kincaid, Rev. Mod. Phys. 53, 769 (1981).
[7]	G. Bunker, Nucl. Instrum. Methods 207, 437 (1983).
[8]	L. Tröger, T. Yokoyama, D. Arvanitis, T. Lederer, M. Tischer, and K. Baberschke, Phys. Rev. B 49, 888 (1994).
[9]	G. Dalba, P. Fornasini, and M. Grazioli, Phys. Rev. B 76, 11034 (1995).
[10]	J. J. Rehr and R. C. Albers, Rev. Mod. Phys. 72, 621 (2000).
[11]	J. M. Tranquada and R. Ingalls, Phys. Rev. B 28, 3520 (1983).
[12]	E. D. Crozier, J. J. Rehr, and R. Ingalls, X-ray Absorption: Principles, Applications, Techniques of EXAFS, SEXAFS and XANES, edited by D. C. Koningsberger & R. Prins, John Wiley & Sons, New York, 1988, Chap. 9.
[13]	G. Dalba and P. Fornasini, J. Synchrotron Radiat. 4, 243 (1997).
[14]	G. Dalba, P. Fornasini, R. Grisenti, D. Pasqualini, D. Diop, and F. Monti, Phys. Rev. B 58, 4793 (1998).
[15]	N. V. Hung and J. J. Rehr, Phys. Rev. B 56, 43 (1997).
[16]	T. Miyanaga and T. Fujikawa, J. Phys. Soc. Jpn. 63, 3683 (1994).
[17]	T. Yokoyama, Phys. Rev. B 57, 3423 (1998).
[18]	T. Yokoyama, J. Synchrotron Radiat. 6, 323 (1999).
[19]	A. V. Poiarkova and J. J. Rehr, Phys. Rev. B 59, 948 (1999).
[20]	S. a Beccara, G. Dalba, P. Fornasini, R. Grisenti, F. Pederiva, A. Sanson, D. Diop, and F. Rocca, Phys. Rev. B 68, 140301 (2003).
[21]	S. a Beccara and P. Fornasini, Phys. Rev. B 77, 172304 (2008).
[22]	F. D. Vila, J. J. Rehr, H. H. Rossner, and H. J. Krappe, Phys. Rev. B 76, 014301 (2007).
[23]	F. D. Vila, V. E. Lindahl, and J. J. Rehr, Phys. Rev. B 85, 024303 (2012).
[24]	A. Sanson, J. Synchrotron Radiat. 16, 864 (2009).
[25]	T. S. Tien, J. Phys. D: Appl. Phys. 53 (2020) 315303.
[26]	N. V. Hung, L. H. Hung, T. S. Tien, and R. R. Frahm, Int. J. Mod. Phys. B 22, 5155 (2008).
[27]	N. V. Hung, C. S. Thang, N. B. Duc, DQ. Vuong, and T. S. Tien, Eur. Phys. J. B 90, 256 (2017).
[28]	N. V. Hung, N. B. Duc, DQ. Vuong, N. C. Toan, and T. S. Tien, Vacuum 169, 108872 (2019).
[29]	N. V. Hung, T. S. Tien, N. B. Duc, and DQ. Vuong, Mod. Phys. Lett. B 28, 1450174 (2014).
[30]	T. S. Tien, N. V. Hung, N. T. Tuan, N. V. Nam, N. Q. An, N. T. M Thuy, V. T. K. Lien, and N. V. Nghia, J. Phys. Chem. Solids 134, 307 (2019).
[31]	L. A. Girifalco and V. G. Weizer, Phys. Rev. 114, 687 (1959).
[32]	T. Fujikawa and T. Miyanaga, J. Phys. Soc. Jpn. 62, 4108 (1993).
[33]	T. Yokoyama, K. Kobayashi, T. Ohta, and A. Ugawa, Phys. Rev. B 53, 6111 (1996).
[34]	N. V. Hung, N. B. Trung, and N. B. Duc, J. Mater. Sci. Appl. 1, 51 (2015).
[35]	I. V. Pirog, T. I. Nedoseikina, I. A. Zarubin, and A. T. Shuvaev, J. Phys.: Condens. Matter 14, 1825 (2002).

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APA Style

Tong Sy Tien, Le Viet Hoang, Nguyen Ngoc Thang, Bui Ba Manh, Nguyen Huu Hieu, et al. (2020). Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors. Advances in Applied Sciences, 5(3), 70-74. https://doi.org/10.11648/j.aas.20200503.13

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ACS Style

Tong Sy Tien; Le Viet Hoang; Nguyen Ngoc Thang; Bui Ba Manh; Nguyen Huu Hieu, et al. Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors. Adv. Appl. Sci. 2020, 5(3), 70-74. doi: 10.11648/j.aas.20200503.13

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AMA Style

Tong Sy Tien, Le Viet Hoang, Nguyen Ngoc Thang, Bui Ba Manh, Nguyen Huu Hieu, et al. Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors. Adv Appl Sci. 2020;5(3):70-74. doi: 10.11648/j.aas.20200503.13

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@article{10.11648/j.aas.20200503.13,
  author = {Tong Sy Tien and Le Viet Hoang and Nguyen Ngoc Thang and Bui Ba Manh and Nguyen Huu Hieu and Nguyen Thi Ngoc Anh and Duong Thanh Cong and Nguyen Hong Nhung and Nguyen Thi Thanh Nhan},
  title = {Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors},
  journal = {Advances in Applied Sciences},
  volume = {5},
  number = {3},
  pages = {70-74},
  doi = {10.11648/j.aas.20200503.13},
  url = {https://doi.org/10.11648/j.aas.20200503.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.aas.20200503.13},
  abstract = {The extended X-ray absorption fine structure (EXAFS) has been developed into a powerful technique and is widely applied to determine many structural parameters and dynamic properties of materials. The EXAFS technique is now the technique of choice in many materials science investigations, and the EXAFS data analysis is being performed in many laboratories spread around the world. In this work, the anharmonic EXAFS spectra of crystalline nickel (Ni) has been analyzed based on the quantum anharmonic correlated Einstein model. The anharmonic EXAFS oscillation presented in terms of the Debye-Waller factors using the cumulant expansion approach up to the fourth-order. This calculation model has been developed from the high-order anharmonic effective potential that described the contribution of their nearest-neighbor atoms to the pair interaction potential. The analytical expressions of the anharmonic EXAFS cumulants are not only explicit forms but also satisfy all of their fundamental properties in temperature dependence. The analysis of the anharmonic EXAFS spectra was performed by evaluating the contributions of the cumulants to the amplitude reduction and the phase shift of the anharmonic EXAFS oscillation. The numerical results for Ni were in good agreement with those obtained using the other theoretical methods and experiment at various temperatures, which are useful for analyzing the experimental EXAFS data of the metal crystals.},
 year = {2020}
}

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TY  - JOUR
T1  - Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors
AU  - Tong Sy Tien
AU  - Le Viet Hoang
AU  - Nguyen Ngoc Thang
AU  - Bui Ba Manh
AU  - Nguyen Huu Hieu
AU  - Nguyen Thi Ngoc Anh
AU  - Duong Thanh Cong
AU  - Nguyen Hong Nhung
AU  - Nguyen Thi Thanh Nhan
Y1  - 2020/08/05
PY  - 2020
N1  - https://doi.org/10.11648/j.aas.20200503.13
DO  - 10.11648/j.aas.20200503.13
T2  - Advances in Applied Sciences
JF  - Advances in Applied Sciences
JO  - Advances in Applied Sciences
SP  - 70
EP  - 74
PB  - Science Publishing Group
SN  - 2575-1514
UR  - https://doi.org/10.11648/j.aas.20200503.13
AB  - The extended X-ray absorption fine structure (EXAFS) has been developed into a powerful technique and is widely applied to determine many structural parameters and dynamic properties of materials. The EXAFS technique is now the technique of choice in many materials science investigations, and the EXAFS data analysis is being performed in many laboratories spread around the world. In this work, the anharmonic EXAFS spectra of crystalline nickel (Ni) has been analyzed based on the quantum anharmonic correlated Einstein model. The anharmonic EXAFS oscillation presented in terms of the Debye-Waller factors using the cumulant expansion approach up to the fourth-order. This calculation model has been developed from the high-order anharmonic effective potential that described the contribution of their nearest-neighbor atoms to the pair interaction potential. The analytical expressions of the anharmonic EXAFS cumulants are not only explicit forms but also satisfy all of their fundamental properties in temperature dependence. The analysis of the anharmonic EXAFS spectra was performed by evaluating the contributions of the cumulants to the amplitude reduction and the phase shift of the anharmonic EXAFS oscillation. The numerical results for Ni were in good agreement with those obtained using the other theoretical methods and experiment at various temperatures, which are useful for analyzing the experimental EXAFS data of the metal crystals.
VL  - 5
IS  - 3
ER  -

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Author Information

Tong Sy Tien

Institute of Research & Development, Duy Tan University, Danang, Vietnam
Le Viet Hoang

Department of Physics, Hanoi University of Science, Hanoi, Vietnam
Nguyen Ngoc Thang

Department 2, University of Fire, Hanoi, Vietnam
Bui Ba Manh

Department 2, University of Fire, Hanoi, Vietnam
Nguyen Huu Hieu

Department 2, University of Fire, Hanoi, Vietnam
Nguyen Thi Ngoc Anh

Department 2, University of Fire, Hanoi, Vietnam
Duong Thanh Cong

Department 10, University of Fire, Hanoi, Vietnam
Nguyen Hong Nhung

Department 10, University of Fire, Hanoi, Vietnam
Nguyen Thi Thanh Nhan

Department 1, University of Fire, Hanoi, Vietnam

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APA Style

Tong Sy Tien, Le Viet Hoang, Nguyen Ngoc Thang, Bui Ba Manh, Nguyen Huu Hieu, et al. (2020). Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors. Advances in Applied Sciences, 5(3), 70-74. https://doi.org/10.11648/j.aas.20200503.13

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ACS Style

Tong Sy Tien; Le Viet Hoang; Nguyen Ngoc Thang; Bui Ba Manh; Nguyen Huu Hieu, et al. Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors. Adv. Appl. Sci. 2020, 5(3), 70-74. doi: 10.11648/j.aas.20200503.13

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AMA Style

Tong Sy Tien, Le Viet Hoang, Nguyen Ngoc Thang, Bui Ba Manh, Nguyen Huu Hieu, et al. Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors. Adv Appl Sci. 2020;5(3):70-74. doi: 10.11648/j.aas.20200503.13

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@article{10.11648/j.aas.20200503.13,
  author = {Tong Sy Tien and Le Viet Hoang and Nguyen Ngoc Thang and Bui Ba Manh and Nguyen Huu Hieu and Nguyen Thi Ngoc Anh and Duong Thanh Cong and Nguyen Hong Nhung and Nguyen Thi Thanh Nhan},
  title = {Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors},
  journal = {Advances in Applied Sciences},
  volume = {5},
  number = {3},
  pages = {70-74},
  doi = {10.11648/j.aas.20200503.13},
  url = {https://doi.org/10.11648/j.aas.20200503.13},
  eprint = {https://article.sciencepublishinggroup.com/pdf/10.11648.j.aas.20200503.13},
  abstract = {The extended X-ray absorption fine structure (EXAFS) has been developed into a powerful technique and is widely applied to determine many structural parameters and dynamic properties of materials. The EXAFS technique is now the technique of choice in many materials science investigations, and the EXAFS data analysis is being performed in many laboratories spread around the world. In this work, the anharmonic EXAFS spectra of crystalline nickel (Ni) has been analyzed based on the quantum anharmonic correlated Einstein model. The anharmonic EXAFS oscillation presented in terms of the Debye-Waller factors using the cumulant expansion approach up to the fourth-order. This calculation model has been developed from the high-order anharmonic effective potential that described the contribution of their nearest-neighbor atoms to the pair interaction potential. The analytical expressions of the anharmonic EXAFS cumulants are not only explicit forms but also satisfy all of their fundamental properties in temperature dependence. The analysis of the anharmonic EXAFS spectra was performed by evaluating the contributions of the cumulants to the amplitude reduction and the phase shift of the anharmonic EXAFS oscillation. The numerical results for Ni were in good agreement with those obtained using the other theoretical methods and experiment at various temperatures, which are useful for analyzing the experimental EXAFS data of the metal crystals.},
 year = {2020}
}

Copy | Download

TY  - JOUR
T1  - Analysis of Anharmonic EXAFS Spectra of Crystalline Nickel Using High-order Debye-Waller Factors
AU  - Tong Sy Tien
AU  - Le Viet Hoang
AU  - Nguyen Ngoc Thang
AU  - Bui Ba Manh
AU  - Nguyen Huu Hieu
AU  - Nguyen Thi Ngoc Anh
AU  - Duong Thanh Cong
AU  - Nguyen Hong Nhung
AU  - Nguyen Thi Thanh Nhan
Y1  - 2020/08/05
PY  - 2020
N1  - https://doi.org/10.11648/j.aas.20200503.13
DO  - 10.11648/j.aas.20200503.13
T2  - Advances in Applied Sciences
JF  - Advances in Applied Sciences
JO  - Advances in Applied Sciences
SP  - 70
EP  - 74
PB  - Science Publishing Group
SN  - 2575-1514
UR  - https://doi.org/10.11648/j.aas.20200503.13
AB  - The extended X-ray absorption fine structure (EXAFS) has been developed into a powerful technique and is widely applied to determine many structural parameters and dynamic properties of materials. The EXAFS technique is now the technique of choice in many materials science investigations, and the EXAFS data analysis is being performed in many laboratories spread around the world. In this work, the anharmonic EXAFS spectra of crystalline nickel (Ni) has been analyzed based on the quantum anharmonic correlated Einstein model. The anharmonic EXAFS oscillation presented in terms of the Debye-Waller factors using the cumulant expansion approach up to the fourth-order. This calculation model has been developed from the high-order anharmonic effective potential that described the contribution of their nearest-neighbor atoms to the pair interaction potential. The analytical expressions of the anharmonic EXAFS cumulants are not only explicit forms but also satisfy all of their fundamental properties in temperature dependence. The analysis of the anharmonic EXAFS spectra was performed by evaluating the contributions of the cumulants to the amplitude reduction and the phase shift of the anharmonic EXAFS oscillation. The numerical results for Ni were in good agreement with those obtained using the other theoretical methods and experiment at various temperatures, which are useful for analyzing the experimental EXAFS data of the metal crystals.
VL  - 5
IS  - 3
ER  -

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