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Geometry, electronic structure, and magnetic properties of TMNan (TM=Cr-Ni; n= 4-7) clusters are studied within a gradient corrected density functionaltheory (DFT) framework. Two complementary approaches, the first adapted toall-electron calculations on free clusters, and the second been on plane waveprojector augmented wave (PAW) method within a supercell approach are used.Except for NiNan, the clusters in this series are found to retain the atomicmoments of the TM atoms, and the magnetic moment presented an odd-evenoscillation with respect to the number of Na atoms. The origin of theseodd-even oscillations is explained from the nature of chemical bonding in theseclusters. Differences and similarities between the chemical bonding and themagnetic properties of these clusters and the TMNan (TM = Sc, V and Ti; n =4-6) clusters on one hand, and TM-doped Au and Ag clusters on the other hand,are discussed.

First-principles study of TMNan (TM= Cr, Mn, Fe, Co, Ni; n = 4-7) clusters