Anharmonic Correlated Einstein Model and Some Applications to Studies of Thermodynamic Properties and Structural Determination of substances

Authors

  • Nguyen Van Hung Trường Đại học Khoa học Tự nhiên Hà Nội

DOI:

https://doi.org/10.51453/2354-1431/2018/240

Keywords:

Debye-Waller factor, cumulant expansion, XAFS, thermodynamic properties.

Abstract

This paper presents the anharmonic correlated Einstein model (ACEM) for studying Debye-Waller factors presented in terms of cumulant expansion and some of its applications. The model is derived based on the quantum statistical theory. In addition, the complicated many-particle problem is simplified by the derived anharmonic interatomic effective potential. This includes the many-body effects by the first shell near neighbor contributions to the vibrations between absorber and backscatterer atoms and by projecting these contributions along bond direction to recover the one-dimensional model. Morse potential is assumed to describe the single-pair atomic interaction. Numerical results for several applications are found to be in good agreement with experiment which show the evident temperature dependence of the thermodynamic properties, anharmonic effects and structural parameters of the considered material.

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Published

2021-04-07

How to Cite

Nguyễn Văn , H. (2021). Anharmonic Correlated Einstein Model and Some Applications to Studies of Thermodynamic Properties and Structural Determination of substances . SCIENTIFIC JOURNAL OF TAN TRAO UNIVERSITY, 4(8), 43–54. https://doi.org/10.51453/2354-1431/2018/240

Issue

Vol. 4 No. 8 (2018): No. 8, JUNE-2018

Section

Natural Science and Technology

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