MAGNETIC-PROPERTIES OF IRON IMPURITIES IN HEXAGONAL CLOSE-PACKED TRANSITION-METALS

Within the self-consistent linear muffin tin orbitals (LMTO)-Green's f unction method using the atomic sphere approximation (ASA) and the loc al spin density approximation (LSDA) for the exchange correlation pote ntial we obtain the charge and spin distribution around one Fe impurit y dissolved in hexagonaal close-packed (hcp) matrices (Sc, Y, Ti, Zr). In agreement with recent experimental results, we find a magnetic sta te for the iron impurity in each dilute alloy. The relaxation effects around the defect are studied in the four alloys using a fast numerica l self-consistent procedure and we show that, in opposition to the cas e of an iron atom dissolved in ruthenium, the local magnetovolume effe cts around the impurity do not destroy its magnetic moment.