282 research outputs found

    Theoretical analysis of the electronic structure of the stable and metastable c(2x2) phases of Na on Al(001): Comparison with angle-resolved ultra-violet photoemission spectra

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    Using Kohn-Sham wave functions and their energy levels obtained by density-functional-theory total-energy calculations, the electronic structure of the two c(2x2) phases of Na on Al(001) are analysed; namely, the metastable hollow-site structure formed when adsorption takes place at low temperature, and the stable substitutional structure appearing when the substrate is heated thereafter above ca. 180K or when adsorption takes place at room temperature from the beginning. The experimentally obtained two-dimensional band structures of the surface states or resonances are well reproduced by the calculations. With the help of charge density maps it is found that in both phases, two pronounced bands appear as the result of a characteristic coupling between the valence-state band of a free c(2x2)-Na monolayer and the surface-state/resonance band of the Al surfaces; that is, the clean (001) surface for the metastable phase and the unstable, reconstructed "vacancy" structure for the stable phase. The higher-lying band, being Na-derived, remains metallic for the unstable phase, whereas it lies completely above the Fermi level for the stable phase, leading to the formation of a surface-state/resonance band-structure resembling the bulk band-structure of an ionic crystal.Comment: 11 pages, 11 postscript figures, published in Phys. Rev. B 57, 15251 (1998). Other related publications can be found at http://www.rz-berlin.mpg.de/th/paper.htm

    Palaeomagnetism of the Ordovician dolerites of the Crozon Peninsula (France)

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    In order to obtain a Lower Palaeozoic pole for the Armorican Massif and to test the origin of the Ibero-Armorican arc, the Ordovician dolerites of the Crozon peninsula have been palaeomagnetically studied. The samples show a multicomponent magnetization which has been revealed by AF and thermal demagnetization and thoroughly investigated with rock magnetic experiments, polished section examinations and K/Ar dating. Four groups of directions have been recognized, often superimposed on each other in an individual sample. One component (D) has always the lowest blocking temperatures and coercivities and is considered to be of viscous origin, acquired recently in situ or in the laboratory during storage. Two components (A and B) are interpreted to be of secondary origin and to correspond to the observed K/Ar age distribution between 300 and 190 Myr. These ages represent the time interval between two regional thermo-tectonic events, associated with the Hercynian orogeny and the intrusion of dykes related to the early opening of the Central Atlantic Ocean and the Bay of Biscay. A fourth component (C) could be of Ordovician or younger Palaeozoic age; it is not clear whether the age of the magnetization is pre- or post-folding, but a pre-folding age would yield a direction of magnetization similar to Ordovician results from the Iberian peninsula. The latter interpretation suggests a fairly high palaeolatitude, which is in agreement with a glacio-marine postulated for sediments overlying the dolerite sills.Peer Reviewedhttp://deepblue.lib.umich.edu/bitstream/2027.42/73214/1/j.1365-246X.1983.tb03785.x.pd

    Influence of band width on the scattered ion yield spectra of a He + Ion by resonant or quasi-resonant charge exchange neutralization

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    The influence of the band structure, especially the bandwidth, on the scattered ion yield spectra of a He+ ion by the resonant or quasi-resonant neutralization was theoretically examined using quantum rate equations. When calculating the scattered ion yield spectra of He+ to simulate the experimental data, we observed that the band structure, especially the bandwidth, had a strong influence on the spectra at relatively low incident He+ ion energies of less than several hundred eV. Through many simulations, it was determined that theoretical calculations that include bandwidth calculation can simulate or reproduce the experimentally observed spectra of He+-In, He+-Ga, and He+-Sn systems. In contrast, simulations not including bandwidth simulation could neither reproduce nor account for such spectra. Furthermore, the calculated ion survival probability (ISP) at low incident ion energies tended to decrease with increasing bandwidth. This decrease in ISP probably corresponds to the relatively small scattered ion yield usually observed at low incident ion energies. Theoretically, such a decrease indicates that a He+ ion with a low incident energy can be easily neutralized on the surface when the bandwidth is large
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