RMC-8(+1) Conference, Budapest

The influence of lattice anisotropy on the local dynamics in hexagonal titanium and zirconium metals

23 Sept 2023, 10:10

30m

room 103 (Central European University, CEU Nador 15 Campus (Budapest, Hungary))

Sa1

Speaker

Vitalijs Dimitrijevs (Institute of Solid State Physics University of Latvia, EXAFS spectroscopy laboratory)

Description

Thorough examination of the lattice dynamics of hexagonal close-packed titanium and zirconium was conducted in this study using the extended X-ray absorption fine structure (EXAFS) spectroscopy. The analysis of Ti and Zr K-edge EXAFS spectra, employing the reverse Monte Carlo method [1], facilitated the determination of mean-squared relative displacements (MSRDs) for Ti-Ti and Zr-Zr atom pairs. By comparing these MSRDs with the literature data from [2], the study revealed their dependence on temperature and interatomic distances. Furthermore, it observed and compared the influence of hexagonal lattice anisotropy on the local dynamics in both metals.
[1] J. Timoshenko, A. Kuzmin, J. Purans, J. Phys.: Condens. Matter 26 (2014) 055401.
[2] L.-M. Peng, G. Ren, S. L. Dudarev, M. J. Whelan, Acta Cryst. A 52 (1996) 456-470.