Electronic structure and magnetic properties of3dimpurities in ferromagnetic metals

Abstract
The electronic structure of 3d impurities (from Ti to Ni) in ferromagnetic metals (bcc and fcc Fe, hcp and fcc Co, fcc Ni) is calculated by the linear-muffin-tin-orbital Green’s-function method. The values of local magnetic moments and effective exchange parameters are listed. For Mn impurities in bcc Fe and hcp Co, two possible impurity configurations with different spin direction are found. Based on the analysis of effective exchange parameters, the relative stability of different configurations is discussed.