Related papers: sp magnetism in clusters of gold-thiolates
The ground-state electronic, structural, and magnetic properties of small silver clusters, Ag$_n$ (2$\le$n$\le$22), have been studied using a linear combination of atomic Gaussian-type orbitals within the density functional theory. The…
Magnetism in bare uncapped gold nano-clusters is explored from a density functional theory perspective with scalar relativistic effects included via the pseudo-potential. The computed electronic structures of various nano-clusters reveal…
Geometry, electronic structure, and magnetic properties of methylthiolate-stabilized Au$_{25}$L$_{18}$ and MnAu$_{24}$L$_{18}$ (L = SCH$_3$) clusters adsorbed on noble-metal (111) surfaces have been investigated by using spin-polarized…
In this paper, we have tried to find out the origin of magnetism in Gold nanoparticles (Au- NPs). We observe that upon incorporating Gold nanoparticles (Au-NPs) in Fe3O4 nanoparticle medium the net magnetisation increases compared to the…
We discovered that spin-orbit scattering in strong-disordered gold nanojunctions is strongly suppressed relative to that in weak-disordered gold thin films. This property is unusual because in weak-disordered films, spin-orbit scattering…
The last two decades have witnessed various experiments reporting very unusual magnetic properties of ensembles of gold nanoparticles surrounded by organic ligands, including ferromagnetic, paramagnetic, or (large) diamagnetic responses.…
We present a theoretical study of the magnetic properties of dicyclopentadienyl metallocene and phthalocyanine molecules, that contain the transition metal atoms M = Fe, Co, Ni, Cu, Zn, Ir, Pt and Au. Our most important prediction is that…
The presence of spin-orbit scattering within an aluminum nanoparticle affects measurements of the discrete energy levels within the particle by (1) reducing the effective g-factor below the free-electron value of 2, (2) causing avoided…
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…
Gold nanoclusters are grown by 1.8 MeV Au^\sup{2+} implantation on c-Al\sub{2}O\sub{3}(0001)substrate and subsequent air annealing at temperatures 1273K. Post-annealed samples show plasmon resonance in the optical (561-579 nm) region for…
The magnetic moment of a single impurity atom in a finite free electron gas is studied in a combined x-ray magnetic circular dichroism spectroscopy and density functional theory study of size-selected free chromium-doped gold clusters. The…
Theoretical studies on the geometry, electronic structure and spin multiplicity of Sc, Ti and V doped Na$_n$ (n = 4, 5, 6) clusters have been carried out within a gradient corrected density functional approach. Two complementary approaches…
The influence of a single magnetic cluster in a non-magnetic host metal on the spin current $\mathbf{j}^{(s)}$ and the charge current $\mathbf{j}$ in the vicinity of a ferromagnetic STM tip is studied theoretically. Spin-flip processes due…
We report an \emph{ab inito} investigation on the ground-state atomic configuration, electronic structures, magnetic and spin-dependent transport properties of Mn-doped Au$_{25}$ nanoclusters protected by thiolate. It is found that the most…
Ensembles of gold nanoparticles present a magnetic behavior which is at odds with the weakly diamagnetic response of bulk gold. In particular, an unusual ferromagnetic order has been unveiled by several experiments. Here we investigate if…
We report electronic structure calculations of an iron impurity in gold host. The spin, orbital and dipole magnetic moments were investigated using the LDA+$U$ correlated band theory. We show that the {\em around-mean-field}-LDA+$U$…
Spin and orbital magnetic moments of cationic iron, cobalt, and nickel clusters have been determined from x-ray magnetic circular dichroism spectroscopy. In the size regime of $n = 10 - 15$ atoms, these clusters show strong ferromagnetism…
Nanostructures based on platinum, such as small clusters or STM-tips, often exhibit an atomistic structure that relies upon one or very few strongly under-coordinated platinum atoms. Here, we analyze a paradigmatic example, an apex atom on…
Variation of the geometrical and electronic properties of the gold materials in different dimensions has been investigated by $ab$ $initio$ method, taking into account the spin-orbit (SO) interaction. It is found that SO effects in…
We report a correlation between the spin polarization of the tunneling electrons (TSP) and the magnetic moment of amorphous CoFeB alloys. Such a correlation is surprising since the TSP involves s-like electrons close to the Fermi level…