Supershells in Metal Clusters: Self-Consistent Calculations and their Semiclassical Interpretation

To understand the electronic shell- and supershell-structure in large metal clusters we have performed self-consistent calculations in the homogeneous, spherical jellium model for a variety of different materials. A scaling analysis of the results reveals a surprisingly simple dependence of the supershells on the jellium density. It is shown how this can be understood in the framework of a periodic-orbit-expansion by analytically extending the well-known semiclassical treatment of a spherical cavity to more realistic potentials.Comment: 4 pages, revtex, 3 eps figures included, for additional information see http://radix2.mpi-stuttgart.mpg.de/koch/Diss

Classical Analysis of Phenomenological Potentials for Metallic Clusters

The classical trajectories of single particle motion in a Wodds-Saxon and a modified Nilsson potential are studied for axial quadrupole deformation. Both cases give rise to chaotic behaviour when the deformation in the Woods-Saxon and the l**2 term in the modified Nilsson potential are turned on. Important similarities, in particular with regard to the shortest periodic orbits, have been found.Comment: 9 pages LaTex + 4 figures available via e-mail requests from the authors, to appear in Phys.Rev.Let

Periodic orbit theory for realistic cluster potentials: The leptodermous expansion

The formation of supershells observed in large metal clusters can be qualitatively understood from a periodic-orbit-expansion for a spherical cavity. To describe the changes in the supershell structure for different materials, one has, however, to go beyond that simple model. We show how periodic-orbit-expansions for realistic cluster potentials can be derived by expanding only the classical radial action around the limiting case of a spherical potential well. We give analytical results for the leptodermous expansion of Woods-Saxon potentials and show that it describes the shift of the supershells as the surface of a cluster potential gets softer. As a byproduct of our work, we find that the electronic shell and supershell structure is not affected by a lattice contraction, which might be present in small clusters.Comment: 15 pages RevTex, 11 eps figures, additional information at http://www.mpi-stuttgart.mpg.de/docs/ANDERSEN/users/koch/Diss

Orbits in Large Aluminum Clusters: Five-Pointed Stars

The distinctions in the mass spectra of large sodium (Na_N) and aluminum (Al_N) clusters are discussed. A semiclassical method is used to describe the shell effects within a spherical jellium model. It allows one to analyze the relative role of different classical trajectories in the formation of electronic supershells in clusters of various sizes at zero and finite temperatures. A criterion for the hardness of the self-consistent potential is formulated. The conjecture that the five-point-star trajectories make the main contribution to the spectral oscillations for large soft-potential Al_N (250<N<900) clusters is substantiated. The computational results are in agreement with the mass spectra of the Al_N clusters at T ~ 300 K.Comment: 5 pages, 3 figures, PDF forma

Rough droplet model for spherical metal clusters

We study the thermally activated oscillations, or capillary waves, of a neutral metal cluster within the liquid drop model. These deformations correspond to a surface roughness which we characterize by a single parameter $\Delta$. We derive a simple analytic approximate expression determining $\Delta$ as a function of temperature and cluster size. We then estimate the induced effects on shell structure by means of a periodic orbit analysis and compare with recent data for shell energy of sodium clusters in the size range $50 < N < 250$. A small surface roughness $\Delta\simeq 0.6$ \AA~ is seen to give a reasonable account of the decrease of amplitude of the shell structure observed in experiment. Moreover -- contrary to usual Jahn-Teller type of deformations -- roughness correctly reproduces the shape of the shell energy in the domain of sizes considered in experiment.Comment: 20 pages, 4 figures, important modifications of the presentation, to appear in Phys. Rev.

Mutation analysis of the ATR gene in breast and ovarian cancer families

INTRODUCTION: Mutations in BRCA1, BRCA2, ATM, TP53, CHK2 and PTEN account for only 20–30% of the familial aggregation of breast cancer, which suggests the involvement of additional susceptibility genes. The ATR (ataxia-telangiectasia- and Rad3-related) kinase is essential for the maintenance of genomic integrity. It functions both in parallel and cooperatively with ATM, but whereas ATM is primarily activated by DNA double-strand breaks induced by ionizing radiation, ATR has been shown to respond to a much broader range of DNA damage. Upon activation, ATR phosphorylates several important tumor suppressors, including p53, BRCA1 and CHK1. Based on its central function in the DNA damage response, ATR is a plausible candidate gene for susceptibility to cancer. METHODS: We screened the entire coding region of the ATR gene for mutations in affected index cases from 126 Finnish families with breast and/or ovarian cancer, 75 of which were classified as high-risk and 51 as moderate-risk families, by using conformation sensitive gel electrophoresis and direct sequencing. RESULTS: A large number of novel sequence variants were identified, four of which – Glu254Gly, Ser1142Gly, IVS24-48G>A and IVS26+15C>T – were absent from the tested control individuals (n = 300). However, the segregation of these mutations with the cancer phenotype could not be confirmed, partly because of the lack of suitable DNA samples. CONCLUSION: The present study does not support a major role for ATR mutations in hereditary susceptibility to breast and ovarian cancer

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