THE MAGNETIC-PROPERTIES OF FE-3 TMB CLUSTERS

The magnetic properties of Fe-3 TMB clusters (TM:3d transition metal) are studied systematically using the discrete-variational local-spin-d ensity-functional method; the equilibrium bond length, binding energy, ionization potential and magnetic moments are determined. It is found that the magnetic moment of Fe displays an even-odd alternation upon changing the atomic number Z of the TM atom, larger moment of Fe for t he even Z and smaller for the odd. If the TM is still Fe, the moment o f the host Fe is the largest, the next largest is Ni but not Co as in Fe(60)TM(20)B amorphous alloys. Sc, Ti, V and Cr are antiferromagnetic ally coupling to Fe moment, the rest are coupling ferromagnetically. F e3MnB cluster has the largest average magnetic moment, it is expected to synthesize a new type of nanostructured magnetic material with this kind of clusters.