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

Development of dispersion strengthened nickel-chromium alloy (Ni-Cr-ThO2) sheet for space shuttle vehicles, part 2

Two dispersion strengthened nickel base alloy systems were developed for use at temperatures up to 1204 C(2200 F); TD nickel chromium (TDNiCr) and TD nickel chromium aluminum (TDNiCrA1). They are considered candidate materials for use on the thermal protection systems of the space shuttle and for long term use in aircraft gas turbine engine applications. Improved manufacturing processes were developed for the fabrication of TDNiCr sheet and foil to specifications. Sheet rolling process studies and extrusion studies were made on two aluminum containing alloys: Ni-16%Cr-3.5%A1-2%ThO2 and Ni-16%Cr-5.0%A12%ThO2. Over 1600 kg.(3500 lb.) of plate, sheet, foil, bar and extrusion products were supplied to NASA Centers for technology studies

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

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

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

Solvent extraction study of the thorium nitrate, nitric acid, and tributyl phosphate-dodecane system: density and acidity relationships

A solvent extraction study to determine equilibrium conditions of thorium nitrate-nitric acid with 30% tributyl phosphate in normal dodecane has been completed. Experimental conditions studied were 30 to 60{sup 0}C, 0.05 to 1.5 M Th(NO{sub 3}){sub 4}, and 0.0 to 3.0 M HNO{sub 3}. The extractant concentration was constant at 30% tributyl phosphate. The equilibrium experiments have produced data which demonstrate that thorium nitrate concentration, free acid, and density are related in equilibrium behavior between the aqueous and organic phases from 30 to 60{sup 0}C in the 30% tributyl phosphate-dodecane solvent extraction system. The concentration interactions apply to both the two- and three-phase regions. A linear correlation was observed for the density (D) of the aqueous or organic phase and the concentration of thorium and free acid. The general form of the equation is D = a(C/sub Th/ + bC/sub H/) + c, where a is the slope, b is the constant, c is the intercept, and C/sub Th/ and C/sub H/ are the molar concentrations of thorium and free acid respectively. The relationship of temperature, thorium nitrate, and free acid makes possible the definitions of the boundaries between the two- and three-phase regions. This dependence, in turn, permits operational control or simulation studies of the system within the two-phase region. The data demonstrate the interactions of the components of the Thorex system and can be used to improve the mathematical description of equilibrium in the SEPHIS-Thorex computer program

Chiral asymmetry of the spin-wave spectra in ultrathin magnetic films

We raise the possibility that the chiral degeneracy of the magnons in ultrathin films can be lifted due to the presence of Dzyaloshinskii-Moriya interactions. By using simple symmetry arguments, we discuss under which conditions such a chiral asymmetry occurs. We then perform relativistic first principles calculations for an Fe monolayer on W(110) and explicitly reveal the asymmetry of the spin-wave spectrum in case of wave-vectors parallel to the (001) direction. Furthermore, we quantitatively interpret our results in terms of a simplified spin-model by using calculated Dzyaloshinskii-Moriya vectors. Our theoretical prediction should inspire experiments to explore the asymmetry of spin-waves, with a particular emphasis on the possibility to measure the Dzyaloshinskii-Moriya interactions in ultrathin films.Comment: 4 pages, 5 figure