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Thermodynamic Properties and Anharmonic Effects in XAFS Based on Anharmonic Correlated Debye Model Debye–Waller Factors
Joint Authors
Ba Duc, Nguyen
Van Hung, Nguyen
Dang Khoa, Ha
Quoc Vuong, Dinh
Sy Tien, Tong
Source
Advances in Materials Science and Engineering
Issue
Vol. 2018, Issue 2018 (31 Dec. 2018), pp.1-9, 9 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2018-07-29
Country of Publication
Egypt
No. of Pages
9
Abstract EN
Thermodynamic properties and anharmonic effects in X-ray absorption fine structure (XAFS) have been studied based on the anharmonic correlated Debye model Debye–Waller factors presented in terms of cumulant expansion.
The derived analytical expressions of three first XAFS cumulants involve more information on phonon-phonon interactions taken from integration over the first Brillouin zone.
Many-body effects are taken into account in the present one-dimensional model based on the first shell near neighbor contributions to the vibrations between absorber and backscatterer atoms.
Morse potential is assumed to describe single-pair atomic interaction included in the derived anharmonic interatomic effective potential.
The present theory can be applied to any crystal structure including complex systems.
Numerical results for Cu and Ni are found to be in good agreement with experiment and with those of the other theories.
American Psychological Association (APA)
Ba Duc, Nguyen& Van Hung, Nguyen& Dang Khoa, Ha& Quoc Vuong, Dinh& Sy Tien, Tong. 2018. Thermodynamic Properties and Anharmonic Effects in XAFS Based on Anharmonic Correlated Debye Model Debye–Waller Factors. Advances in Materials Science and Engineering،Vol. 2018, no. 2018, pp.1-9.
https://search.emarefa.net/detail/BIM-1120353
Modern Language Association (MLA)
Ba Duc, Nguyen…[et al.]. Thermodynamic Properties and Anharmonic Effects in XAFS Based on Anharmonic Correlated Debye Model Debye–Waller Factors. Advances in Materials Science and Engineering No. 2018 (2018), pp.1-9.
https://search.emarefa.net/detail/BIM-1120353
American Medical Association (AMA)
Ba Duc, Nguyen& Van Hung, Nguyen& Dang Khoa, Ha& Quoc Vuong, Dinh& Sy Tien, Tong. Thermodynamic Properties and Anharmonic Effects in XAFS Based on Anharmonic Correlated Debye Model Debye–Waller Factors. Advances in Materials Science and Engineering. 2018. Vol. 2018, no. 2018, pp.1-9.
https://search.emarefa.net/detail/BIM-1120353
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1120353