Acta Crystallographica Section A

Foundations of Crystallography

Volume 69, Part 5 (September 2013)

research papers

Acta Cryst. (2013). A69, 475-482    [ doi:10.1107/S0108767313018138 ]

Diffuse scattering intensity near the Bragg reflection in a (para)magnetic bulk face-centred cubic Ni3Fe-type permalloy

S. M. Bokoch, V. A. Tatarenko and I. V. Vernyhora

Abstract: Within the scope of the self-consistent-field (SCF) and mean-SCF approximations, the Matsubara-Kanzaki-Krivoglaz lattice-statics method as well as the Krivoglaz-Clapp-Moss approach, the kinematic diffuse scattering intensities near the Bragg reflection caused by the atomic short-range order (taking into account the long-range magnetic order) in a (para)magnetic bulk face-centred cubic Ni-Fe alloy are investigated in detail. The reciprocal-space symmetry analysis of both the `direct' `electrochemical' and short-range `exchange' interactions as well as the long-range `indirect' `strain-induced' contribution to the Fourier components of interatomic `mixing' energies and the diffuse scattering intensity contributions near the `fundamental' [Gamma](000)-point is carried out. In the [Gamma]-point vicinity, the rigorous symmetry regularities for all the energy and diffuse scattering intensity contributions are formulated. As revealed, the short-range order (SRO) diffuse scattering intensity behaves conditionally as I_{{\rm SRO}}({\bf k}) \propto k^{2} for {\bf k} \rightarrow {\bf 0} from all the reciprocal-space directions, which is in contrast to the conventional Huang diffuse scattering intensity conditionally definable as I_{{\rm Huang}}({\bf k}) \propto k^{-2} for {\bf k} \rightarrow {\bf 0}. Special attention is paid to the analytic (i.e. azimuthal) and nonanalytic (i.e. first-kind-jump-discontinuous `radial') behaviours of the Fourier components of interatomic `mixing' energies or the SRO intensities near and at the [Gamma](000)-point.

Keywords: interatomic interactions; magnetic impurity interactions; short-range order; diffuse scattering; statistical thermodynamics.

pdfdisplay filedownload file

Portable Document Format (PDF) file (578.2 kbytes)
[ doi:10.1107/S0108767313018138/ib5019sup1.pdf ]
Supplementary material


To open or display or play some files, you may need to set your browser up to use the appropriate software. See the full list of file types for an explanation of the different file types and their related mime types and, where available links to sites from where the appropriate software may be obtained.

The download button will force most browsers to prompt for a file name to store the data on your hard disk.

Where possible, images are represented by thumbnails.

 bibliographic record in  format

  Find reference:   Volume   Page   
  Search:     From   to      Advanced search

Copyright © International Union of Crystallography
IUCr Webmaster