Pressure effects on EXAFS Debye-Waller factor and melting curve of solid krypton

• Published in: Current applied physics 2019, 19(1), , pp.55-59
• Main Authors: Ho, Khac Hieu, Nguyen, Viet Tuyen, Van Nghia, Nguyen, Duc, Nguyen Ba, Tho, Vu Quang, Hai, Tran Thi, Quoc Khoa, Doan
• Format: Article
• Language: English
• Subjects: Debye-Waller factor; EXAFS; High pressure; Melting curves; Statistical moment method; 물리학
• ISSN: 1567-1739; 1878-1675
• DOI: 10.1016/j.cap.2018.11.005

The pressure effects on atomic mean-square displacement, extended X-ray absorption fine structure (EXAFS) Debye-Waller factor and melting temperature of solid krypton have been investigated in within the statistical moment method scheme in quantum statistical mechanics. By assuming the interaction between atoms can be described by Buckingham potential, we performed the numerical calculations for krypton up to pressure 120 GPa. Our calculations show that the atomic mean-square displacement and EXAFS Debye-Waller factor of krypton crystal depend strongly on pressure. They make the robust reduction of the EXAFS peak height. Our results are in good and reasonable agreements with available experimental data. This approach gives us a relatively simple method for qualitatively calculating high-pressure thermo-physical properties of materials. Moreover, it can be used to verify future high-pressure experimental and theoretical works. •Pressure effects on EXAFS Debye-Waller factor of solid Kr have been investigated.•We derived the equation-of-state and melting curve of solid Kr up to 120 GPa.•Atomic mean-square (relative) displacement of solid Kr depend strongly on pressure.