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

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review

1 Scopus Citations
View graph of relations

Author(s)

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

Detail(s)

Original languageEnglish
Article number1950410
Journal / PublicationModern Physics Letters B
Volume33
Issue number33
Online published22 Oct 2019
Publication statusPublished - 30 Nov 2019
Externally publishedYes

Abstract

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. This suggests that the local structure features in zinc metal differ from the average structure ones.

Research Area(s)

  • Atomic pair distribution function, local distortions, non-ideal hcp, total scattering, X-ray diffraction, zinc

Citation Format(s)

Total-scattering pair-distribution function analysis of zinc from high-energy synchrotron data. / Masadeh, Ahmad S.; Shatnawi, Moneeb T. M.; Adawi, Ghosoun; Ren, Yang.

In: Modern Physics Letters B, Vol. 33, No. 33, 1950410, 30.11.2019.

Research output: Journal Publications and Reviews (RGC: 21, 22, 62)21_Publication in refereed journalpeer-review