Electronic Structure of Impurities in Ferromagnetic Iron. II. 3dand 4dImpurities

The local magnetic moment M loc , the hyperfine field H hf and the nuclear spin-lattice relaxation time T 1 of 3 d and 4 d transition metal impurities in Fe are calculated in the framework of the Green function method and in the local spin density approximation (LSD). The calculation reproduces the observed major trends of M loc , H hf and T 1 quite well, though the calculated H hf shows a systematic deviation from the experimental values in the case of impurities whose magnetic moment couples parallel to the bulk magnetization. The mechanisms of the variation of these quantities are elucidated in the light of the present ab initio calculation.