Mn-doped thiolated Au25 nanoclusters: Atomic configuration, magnetic properties, and a possible high-performance spin filter

2011/04/04 by M. Zhou, Miao Zhou, Y. Q. Cai +7
Chemistry · Materials Science · Physics and Astronomy · #Dopant #Doping #Ferromagnetism #Inductive coupling #Inorganic Chemistry and Materials #Magnetic moment #Magnetism in coordination complexes #Nanocluster Synthesis and Applications #Nanoclusters #Position (finance) #Spin (aerodynamics) #cond-mat.mes-hall #cond-mat.mtrl-sci

paper · pdf · doi:10.1063/1.3575203

published as Appl. Phys. Lett. 98, 143103 (2011) · 3 pages, 3 figures

openalex publication_date 2011/04/04 · arxiv created 2013/11/22 · arxiv updated 2015/06/18 · openalex created_date 2016/06/24 · openalex updated_date 2026/08/05

Abstract

We report an ab inito investigation on the ground-state atomic configuration, electronic structures, magnetic, and spin-dependent transport properties of Mn-doped Au25 nanoclusters protected by thiolate. It is found that the most stable dopant sites are near surfaces, rather than the center position of the nanoparticles. Transport calculations show that high- performance spin filters can be achieved by sandwiching these doped clusters between two nonmagnetic Au electrodes. The nearly perfect spin filtering originates from localized magnetic moments of these clusters that are well protected by ligands from the presence of electrodes.

Citations

• Generalized Gradient Approximation Made Simple
• ab initio modeling of open systems: charge transfer, electron conduction, and molecular switching of a C₆₀ device
• Ab initiomolecular dynamics for liquid metals
• A unified view of ligand-protected gold clusters as superatom complexes