相关论文: Structure, bonding and magnetism in cobalt cluster…

It is demonstrated that the magnetic interactions can be drastically different for nano-sized systems compared to those of bulk or surfaces. Using a real-space formalism we have developed a method to calculate non-collinear magnetization…

Local aspects of magnetism of disordered FePt are investigated by ab initio fully relativistic full potential calculations, employing the supercell approach and the coherent potential approximation (CPA). The focus is on trends of the spin…

The properties of small clusters can differ dramatically from the bulk phases of the same constituents. In equilibrium, cluster assembly has been recently explored, whereas out of equilibrium, the physical principles of clustering remain…

We have studied the structure and properties of potassium clusters containing even number of atoms ranging from 2 to 20 at the ab initio level. The geometry optimization calculations are performed using all-electron density functional…

We consider local magnetic moments coupled to conduction electrons with on-site attraction, in order to discuss the interplay between pairing and magnetic order. We probe the ground state properties of this model on a one-dimensional…

Magnetic domain structure and spin-dependent reflectivity measurements on cobalt thin films intercalated at the graphene / Ir(111) interface are investigated using spin-polarised low-energy electron microscopy. We find that graphene-covered…

We report results of the observations of 15 regions in several molecular lines for a statistical study of massive cluster-forming clumps. We identified 24 clumps based on the C18O (J=1-0) data obtained by the NRO 45 m telescope, and found…

The development of magnetoelectric materials requires chemical design strategies that integrate structural polarity with magnetic lattices capable of supporting competing spin interactions. Here, we demonstrate such an approach in the…

The framework of nuclear energy density functionals is applied to a study of the formation and evolution of cluster states in nuclei. The relativistic functional DD-ME2 is used in triaxial and reflection-asymmetric relativistic…

We present a new high-order coupled cluster method (CCM) formalism for the ground states of lattice quantum spin systems for general spin quantum number, $s$. This new ``general-$s$'' formalism is found to be highly suitable for a…

We determine the structure and melting behavior of supported metallic clusters using an ab initio density-functional-based treatment of intracluster interactions and an approximate treatment of the surface as an idealized smooth plane…

This study presents the effect of local electronic correlations on the Heusler compounds Co$_2$Mn$_{1-x}$Fe$_x$Si as a function of the concentration $x$. The analysis has been performed by means of first-principles band-structure…

Many fascinating phenomena such as large-scale collective flows, enhanced fluid mixing and pattern formation have been observed in so-called active fluids, which are composed of particles that can absorb energy and dissipate it into the…

The existence of shell structure and the accompanying high degeneracy of electronic levels leads to the possibility of strong superconducting pairing in metallic nanoclusters with N~100-1000 delocalized electrons. The most favorable cases…

We characterize molecular magnet heterojunctions in which sublimated CoPc films as thin as 5 nm are sandwiched between transparent conducting bottom-layer indium tin oxide and top-layer soft-landing eutectic GaIn (EGaIn) electrodes. The…

Our Introduction starts with a short general review of the magnetic and structural properties of the Heusler compounds which are under discussion in this book. Then, more specifically, we come to the discussion of our experimental results…

In a series of three papers, we introduced a novel cluster formation model that describes the formation, growth, and disruption of star clusters in high-resolution cosmological simulations. We tested this model on a Milky Way-sized galaxy…

We employ the density functional Kohn-Sham method in the local spin-density approximation to study the electronic structure and magnetism of quasi one-dimensional periodic arrays of few-electron quantum dots. At small values of the lattice…

The electronic and magnetic states in doped perovskite cobaltites, (La, Sr)CoO_3, are studied in the numerically exact diagonalization method on Co_2O_{11} clusters. For realistic parameter values, it is shown that a high spin state and an…

We present structure calculations of neutral and singly ionized Mg clusters of up to 30 atoms, as well as Na clusters of up to 10 atoms. The calculations have been performed using density functional theory (DFT) within the local…