Magnetic properties of Co-doped Nb clusters

Article

关键词: AUGMENTED-WAVE METHOD;    NIOBIUM CLUSTERS;    METAL-CLUSTERS;    ANDERSON MODEL;    QUANTUM DOTS;    ELECTRON-GAS;    TEMPERATURE;    TRANSITION;    ENERGY;    STATES;   

DOI  :  10.1103/PhysRevB.97.134427

来源: SCIE

【 摘 要 】

Magnetic deflection experiments on isolated Co-doped Nb clusters demonstrate a strong size dependence of magnetic properties, with large magnetic moments in certain cluster sizes and fully nonmagnetic behavior of others. There are in principle two explanations for this behavior. Either the local moment at the Co site is absent or it is screened by the delocalized electrons of the cluster, i.e., the Kondo effect. In order to reveal the physical origin, first, we established the ground state geometry of the clusters by experimentally obtaining their vibrational spectra and comparing them with a density functional theory study. Then, we performed an analysis based on the Anderson impurity model. It appears that the nonmagnetic clusters are due to the absence of the local Co moment and not due to the Kondo effect. In addition, the magnetic behavior of the clusters can be understood from an inspection of their electronic structure. Here magnetism is favored when the effective hybridization around the chemical potential is small, while the absence of magnetism is signaled by a large effective hybridization around the chemical potential.

【 授权许可】

Free