Crystalline field and spin polarization effects on electron densities and magnetic form factors

R. E. Watson*, A. J. Freeman

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

33 Scopus citations

Abstract

The combined effects of spin (or exchange) polarization and an external crystalline field on charge densities, x-ray and magnetic form factors, and hyperfine parameters are investigated following the analytic Hartree-Fock self-consistent field approach. The crystalline field was represented by a crude cubic field arising from an octahedral array of point charges surrounding the central ionin this case Ni+2. In the strong field approximation the atomic 3d electrons are "split" by the crystalline field and the spinpolarization effect, resulting in a description of these electrons by a set of three distinct orbitals (each having different radial distributions and called t2g, t2g and eg). The ion's spin density leads to a Fermi contact hyperfine term in better agreement with experiment than the value reported in an earlier spin polarized calculation for the free Ni+2 ion and a magnetic form factor whose Fourier transform resembles none of the individual 3d charge distributions.

Original languageEnglish (US)
Pages (from-to)1134-1141
Number of pages8
JournalPhysical Review
Volume120
Issue number4
DOIs
StatePublished - 1960

Funding

The research done by this author was supported jointly by the U. S. Army, Navy, and Air Force under contract with the Massachusetts Institute of Technology.

ASJC Scopus subject areas

  • General Physics and Astronomy

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