Total-scattering pair-distribution function analysis of zinc from high-energy synchrotron data

Masadeh, Ahmad S.; Shatnawi, Moneeb T.  M.; Adawi, Ghosoun; Ren, Yang

doi:10.1142/S0217984919504104

Title: Total-scattering pair-distribution function analysis of zinc from high-energy synchrotron data

Journal Article · 22 October 2019 · Modern Physics Letters B

DOI: https://doi.org/10.1142/S0217984919504104 · OSTI ID:1617669

^[1]; Shatnawi, Moneeb T. M. ^[1]; Adawi, Ghosoun ^[1]; Ren, Yang ^[2]

Univ. of Jordan, Amman (Jordan)
Argonne National Lab. (ANL), Argonne, IL (United States)

The crystal structure of zinc metal deviates from the ideal hexagonal close packing structure by a significantly increased axial ratio (c/a). The local atomic structure of zinc metal is investigated using the total scattering atomic pair distribution function (PDF) analysis based on X-ray powder diffraction data collected at ambient conditions. The X-ray total scattering PDF analysis confirms that the crystal structure of zinc can be described in terms of wurtzite structure, but with an anomalously atomic displacement parameters U₃₃, indicating a significant displacement disorder along the c-axis. For the long r-range PDF refinements, the thermal motion of zinc shows a notable anisotropy as expressed by the ratio U₃₃/U₁₁ of 2.5 at ambient conditions. This average distortion level along the c-axis, was not reflected locally for the features below 5.0 Å as it fits the high r region. Based on PDF refinements over different r-ranges, we measure an interesting increase of the U₃₃ value with decreasing the r-range of the refinement. Finally, this suggests that the local structure features in zinc metal differ from the average structure ones.

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Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22). Scientific User Facilities Division; University of Jordan (UJ)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1617669

Journal Information:: Modern Physics Letters B, Journal Name: Modern Physics Letters B Journal Issue: 33 Vol. 33; ISSN 0217-9849

Publisher:: World Scientific PublishingCopyright Statement

Country of Publication:: United States

Language:: English

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