State-specific RKKY interaction in small magnetic clusters

Abstract

In small binary clusters consisting of a transition metal (TM) of the 3d series and a nonmagnetic element (C, Si, Cu), considerable magnetic moments are induced in the atoms of the nonmagnetic element by the TM. The induced magnetic moments may align ferromagnetically (FM) or antiferromagnetically (AF) with respect to the direction of the magnetic moment of the TM. It is shown that whether the coupling is FM or AF depends not only on the distance of the nonmagnetic atom from the TM but also on the cluster symmetry and the d-band filling of the TM. This behavior is discussed within a state specific generalization of the Ruderman-Kittel-Kasuya-Yosid interaction.

First-Principles Study of Electronic and Magnetic Properties of ConMnm and ConVm (m + n ≤ 6) Clusters

“…Therefore, charge transfer solely can not explain the decrease of Co 3d magnetic moment in Co−V clusters. Past research on small Co−V clusters attributed the significant reduction of cobalt ALMM to the electronic redistribution in the various molecular orbitals (MOs), contrary to the atomic orbital (AO) distribution of free atoms. In another words, this is the delocalization of Co 3d electrons, and we will discuss it below.…”

Successive spin polarizations underlying a new magnetic coupling contribution in diluted magnetic semiconductors

“…In view of figure 5, the SSP-MC appears as a localized double exchange process as it is mediated by localized spin orbitals participating in simultaneous local charge transfer processes analogous to the localized RKKY coupling that was proposed in explaining the magnetic coupling in binary metallic clusters [13].…”

Ab Initio Study of Structural, Electronic and Magnetic Properties of TM&(B@C60) (TM = V, Cr) Sandwich Clusters and Infinite Molecular Wires

“…In addition, the TM-C 60 coordinated bonds in TM n (C 60 ) m complexes were found to be dependent on the choice of TM atom [12,13]. However, differently from the comprehensively studied benzene (Bz)-ligand [10,14] or cyclopentadienyl (Cp)-ligand [15] sandwich complexes, most C 60 sandwich complexes were confirmed to be non-magnetic or weakly magnetic [11][12][13], severely limiting their application in spintronic devices. Therefore, tuning the electronic and magnetic properties of fullerene-ligand sandwich complexes remains challenging.…”