The Au25(SR)18- cluster is a new member in the superatom family which features a centered icosahedral shell (Au13) protected by six RS(AuSR)2 motifs (RS- being a alkylthiolate group). Here we show that this superatom can be magnetically doped by replacing the center Au atom with Cr, Mn, or Fe. We find that Cr and Mn-doped clusters have an optimized magnetic moment of 5 Bohr magnetons while the Fe-doped cluster has an optimized magnetic moment of 3 Bohr magnetons. Although the dopant atom's local magnetic moment makes a major contribution to the total moment, the icosahedral Au12 shell is also found to be significantly magnetized. Our work here provides a new scenario of magnetic doping of a metal-cluster superatom which is protected by ligands and made by wet chemistry.
@article{arxiv.0906.0030,
title = {Magnetic doping of a thiolated-gold superatom},
author = {De-en Jiang and Robert L. Whetten},
journal= {arXiv preprint arXiv:0906.0030},
year = {2019}
}
Comments
20 pages, 4 figures; added a note and discussion and corrected typos