Abstract: The Green's-function technique of Slater and Koster is used to formulate the Hartree-Fock problem for impurities in transition metals. Partial account is taken of the many-band structure of the transition metals and of electron-electron correlation. Application is made to the solution of the self-consistent-field equations in simple cases, to a generalized condition for magnetization of an impurity, to polarization of near-neighbor atoms, to the Knight shift of impurity atoms, and to the occurrence of a magnetic moment as a function of electron concentration for Fe dissolved in the bcc $4d$ transition metals. It is concluded that the effective exchange energies that act to magnetize transition-metal impurities are no greater than 1-2 eV.
Publication Year: 1964
Publication Date: 1964-11-30
Language: en
Type: article
Indexed In: ['crossref']
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Cited By Count: 31
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