Crystalline Field and Spin Polarization Effects on Electron Densities and Magnetic Form Factors
- 15 November 1960
- journal article
- research article
- Published by American Physical Society (APS) in Physical Review B
- Vol. 120 (4), 1134-1141
- https://doi.org/10.1103/physrev.120.1134
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 ion—in this case . In the strong field approximation the atomic 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 , and ). 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 ion and a magnetic form factor whose Fourier transform resembles none of the individual charge distributions.
Keywords
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