Collinear versus non-collinear magnetic order in Pd atomic clusters: ab-initio calculations

We present a thorough theoretical assessment of the stability of non-collinear spin arrangements in small palladium clusters. We generally find that ferromagnetic order is always preferred, but that antiferromagnetic and non-collinear configurations of different sorts exist and compete for the first excited isomers. We also show that the ground state is insensitive to the choice of atomic configuration for the pseudopotential used and to the approximation taken for the exchange and correlation potential. Moreover, the existence and relative stability of the different excited configurations also depends weakly on the approximations employed. These results provide strong evidence on the transferability of pseudopotential and exchange and correlation functionals for palladium clusters as opposed to the situation found for the bulk phases of palladium.Comment: 5 pages, 4 figure

Poliquetos del Seno Aysén, Chile: distribución, abundancia y comparaciones biogeográficas con la fauna de poliquetos de áreas someras de la Antártida y la provincia de Magallanes

This paper analyzes the composition, abundance and biogeographical relationship of the benthic polychaetes collected in three shallow subtidal locations (mouth of Cuervo and Condor rivers and Acantilada Bay) from Aysen Fjord, AF, Chile (45ºS, 73ºW), and provides a comparison with data on shallow soft-bottom polychaetes from Antarctica and other locations of the Magellan Province: Dalcahue Channel, DC (42º22´S, 73º39´W), Puerto Cisnes, Puyuhuapi Channel, PC (44º43´S, 72º42´W) and Magellan Straits, MS. AF polychaete fauna comprises 38 species, the macrobenthic taxon being most representative in terms of abundance and species richness. The importance of polychaetes seems to be higher in fjords than in channels. Low numbers of common species were detected among DC, PC, MS and AF, indicating differences along the influence area of the Cape Horn Current or along the Magellan Province. The polychaetes from AF show low affinities with Antarctica; maximum number of common species was observed with the Antarctic Peninsula, whereas the lowest values were recorded from locations in the Ross and Weddell Seas. Coincidence in some ecological attributes between AF and Antarctica indicate that polychaetes may play an important and similar ecological role in both environments.Se analiza la composición, abundancia y relaciones biogeográficas de poliquetos bentónicos recolectados en tres localidades someras (desembocadura de los ríos Cuervo y Cóndor y Bahía Acantilada) del Seno Aysén, SA, Chile (45ºS, 73ºO), y se efectúa una comparación con los poliquetos de la Antártida y otras localidades de la Provincia de Magallanes: Canal Dalcahue, CD (42º22’S, 73º39’O), Puerto Cisnes, Canal Puyuhuapi, CP (44º43’S, 72º42’O) y Estrecho de Magallanes, EM. La poliquetofauna del SA se compone de 38 especies, siendo el taxón más representativo del macrobentos en términos tanto de abundancia como de riqueza de especies. La importancia de los poliquetos parece mayor en fiordos que en canales. Se detectaron escasas afinidades entre CD, CP, EM y SA, indicando diferencias geográficas del papel de los poliquetos en la Provincia de Magallanes o en el área influenciada por la corriente del Cabo de Hornos. Existen escasas afinidades entre los poliquetos del SA y la Antártida; el mayor número de especies comunes fue compartido con la Península Antártica, mientras que ocurría lo contrario con localidades de los Mares de Ross y Weddell. La similitud de algunos atributos ecológicos entre SA y la Antártida sugieren que los poliquetos juegan un papel ecológico similar en ambos ambientes

Simultaneous Optical Model Analyses of Elastic Scattering, Breakup, and Fusion Cross Section Data for the 6^{6}He + 209^{209}Bi System at Near-Coulomb-Barrier Energies

Based on an approach recently proposed by us, simultaneous $\chi^{2}$-analyses are performed for elastic scattering, direct reaction (DR) and fusion cross sections data for the $^{6}$He+$^{209}$Bi system at near-Coulomb-barrier energies to determine the parameters of the polarization potential consisting of DR and fusion parts. We show that the data are well reproduced by the resultant potential, which also satisfies the proper dispersion relation. A discussion is given of the nature of the threshold anomaly seen in the potential

Neutron Transfer reactions induced by 8Li on 9Be

Angular distributions for the elastic scattering of 8Li on 9Be and the neutron transfer reactions 9Be(8Li,7Li)10Be and 9Be(8Li,9Li)8Be have been measured with a 27 MeV 8Li radioactive nuclear beam. Spectroscopic factors for 8Li|n=9Li and 7Li|n=8Li bound systems were obtained from the comparison between the experimental differential cross section and finite-range DWBA calculations with the code FRESCO. The spectroscopic factors obtained are compared to shell model calculations and to other experimental values from (d,p) reactions. Using the present values for the spectroscopic factor, cross sections for the direct neutron-capture reactions 7Li(n,g)8Li and 8Li(n,g)9Li were calculated in the framework of a potential model.Comment: 24 pages, 8 Figures, submitted as regular article to PR

A basis for variational calculations in d dimensions

In this paper we derive expressions for matrix elements (\phi_i,H\phi_j) for the Hamiltonian H=-\Delta+\sum_q a(q)r^q in d > 1 dimensions. The basis functions in each angular momentum subspace are of the form phi_i(r)=r^{i+1+(t-d)/2}e^{-r^p/2}, i >= 0, p > 0, t > 0. The matrix elements are given in terms of the Gamma function for all d. The significance of the parameters t and p and scale s are discussed. Applications to a variety of potentials are presented, including potentials with singular repulsive terms of the form b/r^a, a,b > 0, perturbed Coulomb potentials -D/r + B r + Ar^2, and potentials with weak repulsive terms, such as -g r^2 + r^4, g > 0.Comment: 22 page

Structural and energetic properties of nickel clusters: 2≤N≤1502 \le N \le 150

The four most stable structures of Ni$_N$ clusters with $N$ from 2 to 150 have been determined using a combination of the embedded-atom method in the version of Daw, Baskes and Foiles, the {\it variable metric/quasi-Newton} method, and our own {\it Aufbau/Abbau} method. A systematic study of energetics, structure, growth, and stability of also larger clusters has been carried through without more or less severe assumptions on the initial geometries in the structure optimization, on the symmetry, or on bond lengths. It is shown that cluster growth is predominantly icosahedral with $islands$ of {\it fcc}, {\it tetrahedral} and {\it decahedral} growth. For the first time in unbiased computations it is found that Ni$_{147}$ is the multilayer (third Mackay) icosahedron. Further, we point to an enhanced ability of {\it fcc} clusters to compete with the icosahedral and decahedral structures in the vicinity of N=79. In addition, it is shown that conversion from the {\it hcp}/anti-Mackay kind of icosahedral growth to the {\it fcc}/Mackay one occurs within a transition layer including several cluster sizes. Moreover, we present and apply different analytical tools in studying structural and energetic properties of such a large class of clusters. These include means for identifying the overall shape, the occurrence of atomic shells, the similarity of the clusters with, e.g., fragments of the {\it fcc} crystal or of a large icosahedral cluster, and a way of analysing whether the $N$-atom cluster can be considered constructed from the $(N-1)$-atom one by adding an extra atom. In addition, we compare in detail with results from chemical-probe experiment. Maybe the most central result is that first for clusters with $N$ above 80 general trends can be identified.Comment: 37 pages, 11 figure