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Since more than twenty years it is known that deposition of Ag onto Si(111)-(7\times7) leads under certain conditions to the formation of so-called "ring-like" clusters, that are particularly stable among small clusters. In order to resolve…

We study the structure and energetics of Au$_N$ clusters by means of parameter-free density-functional calculations ($N\le 8$), jellium calculations ($N\le 60$), embedded-atom calculations ($N\le 150$), and parameterized density-functional…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Denitsa Alamanova , Yi Dong , Habib ur Rehman , Michael Springborg , Valeri G. Grigoryan

We combine density functional theory, x-ray magnetic circular dichroism, multiplet calculations, and scanning tunneling spectroscopy to assess the magnetic properties of Fe atoms adsorbed on a thin layer of MgO(100) on Ag(100). Despite the…

Accurate modelling of magnetism is pivotal for elucidating the microscopic origins of magnetic phenomena in functional materials. However, for a specified class of materials, such as random dilute ferromagnets or alloys, the reliance on…

Materials Science · Physics 2026-05-21 K. Das , N. Gonzalez Szwacki , K. Gas , M. Sawicki , R. Hayn , D. Sztenkiel

The properties of nuclear matter in the presence of a strong magnetic field, including the density-dependent symmetry energy, the chemical composition and spin polarizations, are investigated in the framework of the relativistic mean field…

Nuclear Theory · Physics 2013-01-18 Jianmin Dong , Umberto Lombardo , Wei Zuo , Hongfei Zhang

The occurence of spin-polarization at ZrO$_{2}$, Al$_{2}$O$_{3}$ and MgO surfaces is proved by means of \textit{ab-initio} calculations within the density functional theory. Large spin moments, as high as 1.56 $\mu_B$, develop at O-ended…

Materials Science · Physics 2009-11-11 S. Gallego , J. I. Beltran , J. Cerda , M. C. Munoz

From magnetic deflection experiments on isolated Co doped Nb clusters we made the interesting observation of some clusters being magnetic, while others appear to be non-magnetic. There are in principle two explanations for this behavior.…

Strongly Correlated Electrons · Physics 2018-05-02 A. Diaz-Bachs , L. Peters , R. Logemann , V. Chernyy , J. M. Bakker , M. I. Katsnelson , A. Kirilyuk

The ground state properties of the Shastry-Sutherland model in the presence of an external field are investigated by means of variational states built up from unpaired spins (monomers) and singlet pairs of spins (dimers). The minimum of the…

Condensed Matter · Physics 2009-11-07 A. Fledderjohann , K. -H. Muetter

The magnetic properties of iron (spin and orbital magnetic moments, magnetocrystalline anisotropy energy) in various geometries and dimensionalities are investigated by using a parametrized tight-binding model in an $s$, $p$ and $d$ atomic…

Materials Science · Physics 2008-04-22 Gabriel Autes , Cyrille Barreteau , Daniel Spanjaard , Marie-Catherine Desjonqueres

Some Cerium compounds exhibit hysteresis cycles with sharp macroscopic jumps in the magnetization at very low temperatures. This effect is attributed to the formation of clusters in which the anisotropy competes with the applied magnetic…

Strongly Correlated Electrons · Physics 2015-05-13 J. R. Iglesias , J. I. Espeso , N. Marcano , J. C. Gómez Sal

Noncollinear magnetic states in clusters are studied by using the single-band Hubbard Hamiltonian. The unrestricted Hartree-Fock (UHF) approximation is considered without imposing any symmetry constraints neither to the size or orientation…

Strongly Correlated Electrons · Physics 2009-10-31 Miguel A. Ojeda , J. Dorantes-Davila , G. M. Pastor

The magnetic resonance spectrum of spin clusters formed in spin-Peierls magnets in the vicinity of impurity ions was investigated. The observed temperature dependences of the effective g-factor and the linewidth of the electron spin…

Strongly Correlated Electrons · Physics 2009-11-07 V. N. Glazkov , A. I. Smirnov , R. M. Eremina , G. Dhalenne , A. Revcolevschi

Within a rather general tight-binding framework, we studied the magnetic properties of Ni$_{n}$ clusters with $n=9$ through 60. In addition to usual hopping, exchange, and spin-orbit coupling terms, our Hamiltonian also included orbital…

Materials Science · Physics 2009-11-10 Xiangang Wan , Lei Zhou , Jinming Dong , T. K. Lee , Ding-sheng Wang

Magnetic and transport properties of Ge(1-x-y)Mn(x)Eu(y)Te crystals with chemical compositions 0.041 < x < 0.092 and 0.010 < y < 0.043 are studied. Ferromagnetic order is observed at 150 < T < 160 K. Aggregation of magnetic ions into…

Molecular dynamics simulations and density functional theory calculations have been used to demonstrate the possibility of preserving high spin states of the magnetic cores within Ni-based core-shell bimetallic nanoalloys over a wide range…

Materials Science · Physics 2014-12-22 Dennis Palagin , Jonathan P. K. Doye

The quantum size effect (QSE) studies of metallic and semiconductor nanoparticles have received considerable attention for their applications in superconductivity, visible light emission, quantum dot devices and industrial catalysts. The…

Chemical Physics · Physics 2019-05-28 John Hongguang Zhang

It has recently been possible to synthesize ordered assemblies composed of magnetic superatomic clusters Ni9Te6(PEt3)8 separated by C60 and study their magnetic behavior. We have carried out theoretical studies on model systems consisting…

Mesoscale and Nanoscale Physics · Physics 2016-12-30 Pallabi Sutradhar , Vikas Chauhan , Shiv N. Khanna , Jayasimha Atulasimha

We propose a kinetic theory of transport in metals embedded with ferromagnetic nanoclusters, describing the dependence of the form of magnetoresistance on anisotropy characteristics of the ensemble of clusters and the influence of the…

Materials Science · Physics 2010-08-12 O. Tsyplyatyev , Vladimir I. Fal'ko

How does magnetism behave when the physical dimension is reduced to the size of nanostructures? The multiplicity of magnetic states in these systems can be very rich, in that their properties depend on the atomic species, the cluster size,…

Mesoscale and Nanoscale Physics · Physics 2015-06-18 Samir Lounis

The magnetic nature of Cs$_{2}$AgF$_{4}$, an isoelectronic and isostructural analogue of La$_2$CuO$_4$, is analyzed using density functional calculations. The ground state is found to be ferromagnetic and nearly half metallic. We find…

Materials Science · Physics 2009-11-11 Deepa Kasinathan , A. B. Kyker , D. J. Singh
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