Acta Cryst. (2013). A69, 475-482 [ doi:10.1107/S0108767313018138 ]
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' (000)-point is carried out. In the -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 for from all the reciprocal-space directions, which is in contrast to the conventional Huang diffuse scattering intensity conditionally definable as for . 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 (000)-point.
Keywords: interatomic interactions; magnetic impurity interactions; short-range order; diffuse scattering; statistical thermodynamics.
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