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Article Dans Une Revue Acta Crystallographica Section A : Foundations of Crystallography [1968-2013] Année : 2011

Joint densities and density matrices refinements: first attempts and first results

Résumé

Although analysis of joint experimental data as diverse as x-rays structure factors, polarized neutron flipping ratios, neutron structure factors, CBED measurements, x-ray Compton magnetic (and non magnetic) profiles, among others, is theoretically feasible and desirable, to this day only few attempts have been made. We will remind some of the important strategies that have been elaborated in the past and we will propose a new possible way of combining and exploiting the richness of the diversity of experimental methods. We will show that as long as the data are issued from elastic coherent scattering experiments only marginal changes have to be made to the usual pseudo-atoms model. This will be illustrated with recent results obtained on magnetic compounds. We will finally address a critical discussion concerning the difficulties occurring in combining real and momentum space data.

Dates et versions

hal-02640355 , version 1 (28-05-2020)

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Citer

P. Becker, J. -M. Gillea, M. Deutsh, N. Claiser, M. Souhassou, et al.. Joint densities and density matrices refinements: first attempts and first results. Acta Crystallographica Section A : Foundations of Crystallography [1968-2013], 2011, 67 (a1), pp.C100-C100. ⟨10.1107/S0108767311097558⟩. ⟨hal-02640355⟩
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