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Magnetization Densities in Material Science

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Modern Charge-Density Analysis

Abstract

The aim of this chapter is to point out the relevance of magnetization density studies by means of polarized neutron diffraction (PND) for understanding the magnetic behaviour of materials. Recent advances in the PND technique are overviewed. Major improvements in PND data analysis concern magnetization density reconstruction using the Maximum of Entropy Method (MEM) and the new method based on the local susceptibility tensor approach for non collinear moments in strongly anisotropic materials. The well established model refinement methods are based on the atomic orbital (AO) model and the multipole model. The interest of magnetization density studies for studying novel molecule-based magnetic materials is demonstrated on the basis of selected examples.

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Notes

  1. 1.

    L = 3,5-di-ter-butyl-1,2-semiquinonato 1(2-hydroxy-3,5-di-ter-butylphenyl)imine.

  2. 2.

    t-bupy = p-tertbutylpyridine.

  3. 3.

    Nit = C7H12N2O2

  4. 4.

    NitSMePh = p-(Methylthio)phenyl Nitronyl Nitroxide.

  5. 5.

    (cth) = 5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane, (opxn) = N,N′-bis-(3-aminopropyl) oxamide.

  6. 6.

    (pba) = 1,3-propylenebis (oxamato).

  7. 7.

    Fe II8 pcl = [(tacn)6Fe8O2(OH)12]Br4.3(ClO4)3.7, 6H2O with (tacn) = 1,4,7-triazacyclononane.

  8. 8.

    F2PNNNO = 2-[2′,6′-difluoro-4′-(N-tert-butyl-N-oxyamino)phenyl]-4,4,5,5-tetramethyl-4,5-dihydro-1 H-imidazol-1-oxyl.

  9. 9.

    tBuNO = tertio-Butyl-nitroxide.

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Acknowledgments

The authors thank A. Gukasov for many helpful discussions.

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Authors and Affiliations

  1. Laboratoire Léon Brillouin (CEA-CNRS), Centre d’Etudes de Saclay, 91191, Gif-sur-Yvette, Cedex, France

    Béatrice Gillon

  2. Structures, Properties and Modelling of Solids (SPMS) Laboratory, Ecole Centrale Paris, Grande Voie des Vignes, 92295, Chatenay-Malabry, France

    Pierre Becker

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  1. Istit. di Scienze e Tecn. Molec. del CNR, c/o Dipt di Chim. Fis. ed Elettrochim., CNR-ISTM, Via Golgi 19, Milano, 20133, Italy

    Carlo Gatti

  2. , Department of Chemistry and Biochemistry, University of Bern, Freiestrasse 3, Bern, 3012, Switzerland

    Piero Macchi

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Gillon, B., Becker, P. (2011). Magnetization Densities in Material Science. In: Gatti, C., Macchi, P. (eds) Modern Charge-Density Analysis. Springer, Dordrecht. https://doi.org/10.1007/978-90-481-3836-4_8

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