A previously suggested new theoretical model for the extension of the charge density of 3d electrons of atoms of ferromagnetic metal$ of the iron group (in comparison to that in a free atom) and a concept of a neutral atom in metals is considered and on the same basis a calculation has been made for the electronic structure and magnetic moment of Fe, Co, and Ni atoms. Stern [ l ] and Wood [2] showed that the effective radius R (radius of t,he sphere on whose surface the distribution probability density is maximum) of 3d electrons of a metallic iron atom is larger than the effective radius ~( 3 d ) of 3d electrons of a free atom. Later, Batterman et al. [3] proved this experimentally. I n [4], it, is assumed that the fundamental phenomenon under investigation occurs in any other 3d transition metal.
IntroductionThe 3d electron in the atom of a metal, being more distant from the nucleus than in a free atom, "sees", in Bethe's words [5], a smaller effective nuclear charge Z(3d) than that relevant for the case of a free atom z(3d). According to Hartiee [6], the effective nuclear charge seen by the 3d electron is equal to 9/rmax, where rmax is the distance of the 3d charge density maximum from the nucleus. Slater [7] has investigated the case rnlsx = r(3d) for a free atom.
In the present paper each point of the lattice is assumed to be surrounded by a neutral sphere of the radius R < r, for pure ferromagnetic metals and R > rs for non-ferromagnetic 3d-metals while in the Stern method the neutral sphere is the Wigner-Seitz sphere of radius r8. The atom in the sphere is taken as characterized by the starting electronic configuration depending on the type of the crystal structure: 3dC-24~~ for f.
Electron structures (configurations) of the atoms of all the 3d transition metals are calculated. It is shown that the regularities to which the electron configurations of the atom of the crystalline elements (3d metals) follow are much similar t o those ones for free atoms of the Periodic Table of Elements.
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