相关论文: Structure, bonding and magnetism in cobalt cluster…
Structural and dynamical characteristics pertaining to the solvation of an excess proton in liquid-like nanoclusters of the type [H$_2$O]$_n$ are investigated using Molecular Dynamics experiments. Three different aggregate sizes were…
Quantum cluster theories are a set of approaches for the theory of correlated and disordered lattice systems, which treat correlations within the cluster explicitly, and correlations at longer length scales either perturbatively or within a…
We study size- and charge-asymmetric oppositely charged colloids driven by an external electric field. The large particles are connected by harmonic springs, forming a hexagonal-lattice network while the small particles are free of bonds…
Motivated in part by experiments performed by M.H. Pan et al. (nanoletters, v.5, p 83, 2005), we have undertaken a theoretical study of the the magnetic properties of two-monolayer thick Co nanoplatelets with an equilateral triangular…
An electrodynamical coupled cluster (CC) methodology starting from a covariant formalism and an equal time approximation, and finally based on the Dirac-Fock picture of the electron and positron fields and Coulomb gauge, is given here. The…
Structure and electronic properties of two unusual boron clusters obtained by fusion of borozene rings has been studied by means of first principles calculations, based on the generalized-gradient approximation of the density functional…
Using magnetization, specific heat and neutron scattering measurements, as well as exact calculations on realistic models, the magnetic properties of the \lacuvo compound are characterized on a wide temperature range. At high temperature,…
Cobalt based sulphides of compositional formula Co$ _{3} $A$ _{2} $S$ _{2} $ (A = Sn and In) are endowed with frustrated kagome lattice structure and a plethora of novel phenomena determined from the topological band structure. Here-in, we…
The optimized structure and electronic properties of neutral and singly charged magnesium clusters have been investigated using ab initio theoretical methods based on density-functional theory and systematic post-Hartree-Fock many-body…
The nearby cloud L1642 is one of only two known very high latitude (|b| > 30 deg) clouds actively forming stars. It is a rare example of star formation in isolated conditions, and can reveal important details of star formation in general,…
The influence of geometry and morphology of superconducting structure on critical currents and magnetic flux trapping in percolative type-II superconductor is considered. The superconductor contains the clusters of a normal phase, which act…
First principles FPLAPWcalculations were performed in the framework of Density Functional Theory (DFT), to study the electronic structures and magnetic properties for the new full-Heusler compounds: Sc2CoZ (Z=Si, Ge, Sn). The investigated…
Polycrystalline samples of the half-metallic ferromagnet Heusler compound Co$_2$TiSn have been prepared and studied using bulk techniques (X-ray diffraction and magnetization) as well as local probes ($^{119}$Sn M\"ossbauer spectroscopy and…
We use density-functional methods to study the effects of an external magnetic field on two-dimensional quantum dots with a rectangular hard-wall confining potential. The increasing magnetic field leads to spin polarization and formation of…
We developed a technique to determine suitable spin models for small embedded clusters of arbitrary geometry by combining the spin-cluster expansion with the relativistic disordered local moment scheme. We present results for uncovered and…
Stars form predominantly in clusters inside dense clumps of molecular clouds that are both turbulent and magnetized. The typical size and mass of the cluster-forming clumps are $\sim 1$ pc and $\sim 10^2 - $ 10$^3$ M$_\odot$, respectively.…
Colloidal clusters consist of small numbers of colloidal particles bound by weak, short-range attractions. The equilibrium probability of observing a cluster in a particular geometry is well-described by a statistical mechanical model…
We present a systematic study of the geometries, energetics, electronic structure and bonding in various Al-Li clusters viz. AlnLin ($n$=1-11), Al$_2^-$, Al$_2^{2-}$, Al$_2$Li, Al$_2$Li$^-$, and Al6Li8 using Born-Oppenheimer molecular…
CoPt or FePt equiatomic alloys order according to the tetragonal L10 structure which favors their strong magnetic anisotropy. Conversely magnetism can influence chemical ordering. We present here {\it ab initio} calculations of the…
Zinc and cadmium clusters interacting with a Gupta potential have previously been identified as prototypical metallic systems that exhibiting disordered cluster structures. Here, putative global minima of the potential energy have been…