Covalency, spin densities, and neutron magnetic scattering

D. E. Ellis, Arthur J Freeman

Research output: Contribution to journalArticle

2 Citations (Scopus)

Abstract

Effects of covalent spin densities on the neutron magnetic scattering are described using results of UHF-MO-SCF calculations for the (MnF 6)4- cluster and for a model three-atom system (Sc 2+Single Bond signF-Single Bond signSc2+) in a linear configuration. Full variational freedom was given to all the electrons and all multicenter integrals were included. From the computed spin densities magnetic form factors were calculated including nonspherical terms and core polarization effects. Both ferromagnetic and antiferromagnetic states of the three-atom system were studied in order to investigate possible differences in covalent behavior and the contribution of covalency to measurements of zero-point spin deviation.

Original languageEnglish
Pages (from-to)937-938
Number of pages2
JournalJournal of Applied Physics
Volume41
Issue number3
DOIs
Publication statusPublished - 1970

ASJC Scopus subject areas

  • Physics and Astronomy (miscellaneous)

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