International
Tables for Crystallography Volume C Mathematical, physical and chemical tables Edited by E. Prince © International Union of Crystallography 2006 |
International Tables for Crystallography (2006). Vol. C. ch. 8.7, p. 731
Section 8.7.4.6.3. Electronic structure of rare-earth elementsa 732 NSM Building, Department of Chemistry, State University of New York at Buffalo, Buffalo, NY 14260-3000, USA,bDigital Equipment Co., 129 Parker Street, PKO1/C22, Maynard, MA 01754-2122, USA, and cEcole Centrale Paris, Centre de Recherche, Grand Voie des Vignes, F-92295 Châtenay Malabry CEDEX, France |
When covalency is small, the major aims are the determination of the ground state of the rare-earth ion, and the amount of delocalized magnetization density via the conduction electrons.
The ground state |ψ〉 of the ion is written as which is well suited for the Johnston (1966) and Marshall & Lovesey (1971) formulation in terms of general angular-momentum algebra. A multipolar expansion of spin and orbital components of the structure factor enables a determination of the expansion coefficient (Schweizer, 1980).
References
Johnston, D. F. (1966). Theory of the electron contribution to the scattering of neutrons by magnetic ions in crystals. Proc. Phys. Soc. London, 88, 37–52.Google ScholarMarshall, W. & Lovesey, S. W. (1971). Theory of thermal neutron scattering. Oxford University Press.Google Scholar
Schweizer, J. (1980). In Electron and magnetization densities in molecules and crystals, edited by P. Becker. New York: Plenum.Google Scholar