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ABSTRACT
The Debye model has been developed to study the pressure dependence of the extended X-ray absorption fine structure Debye–Waller factor, the Debye frequency and temperature of hexagonal close-packed (hP2) metals. The effects of the non-ideal axial ratio c/a of hP2 structure on these thermodynamic quantities at high pressures have also been considered. Additionally, based on the combination of the Debye model and the Lindemann melting law, we derive the analytic expression of melting temperature of hP2 metals as a function of pressure. Numerical calculations have been implemented for Mg and Zn metals up to 20 and 50 GPa, respectively. We have shown that Debye frequency and temperature, as well as melting temperature of these two metals increase robustly with pressure and non-ideal axial ratio plays important role in these thermodynamic quantities. The remarkable consistency observed between our calculations and various experimental results validates the reliability of the currently presented melting curve. Meanwhile, at high pressure non-ideal axial ratio gives a small contribution to pressure-dependent Debye–Waller factor of Mg (up to 20 GPa) and Zn (beyond 20 GPa), and can be safely neglected in the suggested pressure range.
Acknowledgements
The authors would like to acknowledge Hong Duc University for support of this research. One of the authors (H.K. Hieu) expresses his gratitude for the valuable support received from Duy Tan University, which is on the verge of celebrating its 30th anniversary of establishment (11 November 1994–11 November 2024) dedicated to ‘Integral, Sustainable and Stable Development’.
Disclosure statement
No potential conflict of interest was reported by the author(s).
Data availability
The data that support the findings of this study are available within the article.