Evaluation of the optical conductivity tensor in terms of contour integrations

For the case of finite life-time broadening the standard Kubo-formula for the optical conductivity tensor is rederived in terms of Green's functions by using contour integrations, whereby finite temperatures are accounted for by using the Fermi-Dirac distribution function. For zero life-time broadening, the present formalism is related to expressions well-known in the literature. Numerical aspects of how to calculate the corresponding contour integrals are also outlined.Comment: 8 pages, Latex + 2 figure (Encapsulated Postscript

Electrical transport properties of bulk Nic_{c}Fe1−c_{1-c} alloys and related spin-valve systems

Within the Kubo-Greenwood formalism we use the fully relativistic, spin-polarized, screened Korringa-Kohn-Rostoker method together with the coherent-potential approximation for layered systems to calculate the resistivity for the permalloy series Ni$_{c}$Fe$_{1-c}$. We are able to reproduce the variation of the resistivity across the entire series; notably the discontinuous behavior in the vicinity of the structural phase transition from bcc to fcc. The absolute values for the resistivity are within a factor of two of the experimental data. Also the giant magnetoresistance of a series of permalloy-based spin-valve structures is estimated; we are able to reproduce the trends and values observed on prototypical spin-valve structures.Comment: 6 pages, ReVTeX + 4 figures (Encapsulated Postscript), submitted to PR

Magnetic properties of Quantum Corrals from first principles calculations

We present calculations for electronic and magnetic properties of surface states confined by a circular quantum corral built of magnetic adatoms (Fe) on a Cu(111) surface. We show the oscillations of charge and magnetization densities within the corral and the possibility of the appearance of spin--polarized states. In order to classify the peaks in the calculated density of states with orbital quantum numbers we analyzed the problem in terms of a simple quantum mechanical circular well model. This model is also used to estimate the behaviour of the magnetization and energy with respect to the radius of the circular corral. The calculations are performed fully relativistically using the embedding technique within the Korringa-Kohn-Rostoker method.Comment: 14 pages, 9 figures, submitted to J. Phys. Cond. Matt. special issue on 'Theory and Simulation of Nanostructures

Spin-polarized surface states close to adatoms on Cu(111)

We present a theoretical study of surface states close to 3d transition metal adatoms (Cr, Mn, Fe, Co, Ni and Cu) on a Cu(111) surface in terms of an embedding technique using the fully relativistic Korringa-Kohn-Rostoker method. For each of the adatoms we found resonances in the s-like states to be attributed to a localization of the surface states in the presence of an impurity. We studied the change of the s-like densities of states in the vicinity of the surface state band-edge due to scattering effects mediated via the adatom's d-orbitals. The obtained results show that a magnetic impurity causes spin-polarization of the surface states. In particular, the long-range oscillations of the spin-polarized s-like density of states around an Fe adatom are demonstrated.Comment: 5 pages, 5 figures, submitted to PR

A New Ultra-dense Group of Obscured Emission-Line Galaxies

We present the discovery of an isolated compact group of galaxies that is extremely dense (median projected galaxy separation: 6.9 kpc), has a very low velocity dispersion ($\sigma_{\rm 2D}$ = 67 km s$^{-1}$), and where all observed members show emission lines and are morphologically disturbed. These properties, together with the lack of spirals and the presence of a prominent tidal tail make this group one of the most evolved compact groups.Comment: 15 pages,LaTeX, 2figures. A Postscript figure with spectra is available at ftp://astro.uibk.ac.at/pub/weinberger/ . Accepted for publication in ApJ Letter

Ab-initio spin dynamics applied to nanoparticles: canted magnetism of a finite Co chain along a Pt(111) surface step edge

In order to search for the magnetic ground state of surface nanostructures we extended first principles adiabatic spin dynamics to the case of fully relativistic electron scattering. Our method relies on a constrained density functional theory whereby the evolution of the orientations of the spin-moments results from a semi-classical Landau-Lifshitz equation. This approach is applied to a study of the ground state of a finite Co chain placed along a step edge of a Pt(111) surface. As far as the ground state spin orientation is concerned we obtain excellent agreement with the experiment. Furthermore we observe noncollinearity of the atom-resolved spin and orbital moments. In terms of magnetic force theorem calculations we also demonstrate how a reduction of symmetry leads to the existence of canted magnetic states.Comment: 4 pages, ReVTeX + 3 figures (Encapsulated Postscript), submitted to PR

Cosmic-ray induced background intercomparison with actively shielded HPGe detectors at underground locations

The main background above 3\,MeV for in-beam nuclear astrophysics studies with $\gamma$-ray detectors is caused by cosmic-ray induced secondaries. The two commonly used suppression methods, active and passive shielding, against this kind of background were formerly considered only as alternatives in nuclear astrophysics experiments. In this work the study of the effects of active shielding against cosmic-ray induced events at a medium deep location is performed. Background spectra were recorded with two actively shielded HPGe detectors. The experiment was located at 148\,m below the surface of the Earth in the Reiche Zeche mine in Freiberg, Germany. The results are compared to data with the same detectors at the Earth's surface, and at depths of 45\,m and 1400\,m, respectively.Comment: Minor errors corrected; final versio

Numerically improved computational scheme for the optical conductivity tensor in layered systems

The contour integration technique applied to calculate the optical conductivity tensor at finite temperatures in the case of layered systems within the framework of the spin-polarized relativistic screened Korringa-Kohn-Rostoker band structure method is improved from the computational point of view by applying the Gauss-Konrod quadrature for the integrals along the different parts of the contour and by designing a cumulative special points scheme for two-dimensional Brillouin zone integrals corresponding to cubic systems.Comment: 17 pages, LaTeX + 4 figures (Encapsulated PostScript), submitted to J. Phys.: Condensed Matter (19 Sept. 2000