Paper Title:
X-Ray Characterization of Ag Impurities in Na1-xAgxCl
  Abstract

The alkali halide Na1-xAgxCl, with two different compositions (x = 0.03 and 0.10), was studied with regard to the Ag impurities in terms of the bonding and electron density distribution. X-ray single crystal data sets have been used for the purpose. The present analysis focused on the electron density distribution and hence the interaction between the atoms is clearly revealed by maximum entropy method (MEM) and multipole analyses. The bonding in these systems has been studied using two-dimensional MEM electron density maps on the (100) and (110) planes and onedimensional electron density profiles along the [100], [110] and [111] directions. The mid-bond electron densities between atoms in these systems are found to be 0.175 e/Å3 and 0.183 e/Å3, respectively, for Na0.97Ag0.03Cl and Na0.90Ag0.10Cl. Multipole analysis of the structure has been performed for these two systems, with respect to the expansion/contraction of the ion involved.

  Info
Periodical
Edited by
David J. Fisher
Pages
33-44
DOI
10.4028/www.scientific.net/DDF.278.33
Citation
R. Saravanan, K.S. Syed Ali, M. Prema Rani, R. Saravanan, "X-Ray Characterization of Ag Impurities in Na1-xAgxCl", Defect and Diffusion Forum, Vol. 278, pp. 33-44, 2008
Online since
July 2008
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$32.00
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