Magnetic doping of the golden cage cluster M@ Au 16 - (M=Fe, Co,Ni)

Lei Ming Wang, Jaeil Bai, Anne Lechtken, Wei Huang, Detlef Schooss, Manfred M. Kappes, Xiao Cheng Zeng, Lai Sheng Wang

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Abstract

Structural, electronic, and magnetic properties of the golden cage doped with a transition-metal atom, M Au 16 - (M=Fe, Co,Ni), are investigated using trapped ion electron diffraction, photoelectron spectroscopy, and density-functional theory. The best agreement to experiment is obtained for endohedral M@ Au 16 - structures but with considerable distortions to the parent Au 16 - cage. Fe@ Au 16 - and Co@ Au 16 - are found to have similar structures with C2 symmetry while a C1 structure is obtained for Ni@ Au16-. The 4s electrons are observed to transfer to the Au16 cage, whereas atomiclike magnetism due to the unpaired 3d electrons is retained for all the doped clusters.

Original languageEnglish (US)
Article number033413
JournalPhysical Review B - Condensed Matter and Materials Physics
Volume79
Issue number3
DOIs
StatePublished - Jan 5 2009

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ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics

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