1,480 research outputs found
The Structure of Barium in the hcp Phase Under High Pressure
Recent experimental results on two hcp phases of barium under high pressure
show interesting variation of the lattice parameters. They are here interpreted
in terms of electronic structure calculation by using the LMTO method and
generalized pseudopotential theory (GPT) with a NFE-TBB approach. In phase II
the dramatic drop in c/a is an instability analogous to that in the group II
metals but with the transfer of s to d electrons playing a crucial role in Ba.
Meanwhile in phase V, the instability decrease a lot due to the core repulsion
at very high pressure. PACS numbers: 62.50+p, 61.66Bi, 71.15.Ap, 71.15Hx,
71.15LaComment: 29 pages, 8 figure
Combined density-functional and dynamical cluster quantum Monte Carlo calculations for three-band Hubbard models for hole-doped cuprate superconductors
Using a combined local density functional theory (LDA-DFT) and quantum Monte
Carlo (QMC) dynamic cluster approximation approach, the parameter dependence of
the superconducting transition temperature Tc of several single-layer
hole-doped cuprate superconductors with experimentally very different Tcmax is
investigated. The parameters of two different three-band Hubbard models are
obtained using the LDA and the downfolding Nth-order muffin-tin orbital
technique with N=0 and 1 respectively. QMC calculations on 4-site clusters show
that the d-wave transition temperature Tc depends sensitively on the
parameters. While the N=1 MTO basis set which reproduces all three
bands leads to a d-wave transition, the N=0 set which merely reproduces the LDA
Fermi surface and velocities does not
Technical report with results from the fish sampling and analyses from the Joint Danube Survey 2007
Searching for hexagonal analogues of the half-metallic half-Heusler XYZ compounds
The XYZ half-Heusler crystal structure can conveniently be described as a
tetrahedral zinc blende YZ structure which is stuffed by a slightly ionic X
species. This description is well suited to understand the electronic structure
of semiconducting 8-electron compounds such as LiAlSi (formulated
Li[AlSi]) or semiconducting 18-electron compounds such as TiCoSb
(formulated Ti[CoSb]). The basis for this is that [AlSi]
(with the same electron count as Si) and [CoSb] (the same electron
count as GaSb), are both structurally and electronically, zinc-blende
semiconductors. The electronic structure of half-metallic ferromagnets in this
structure type can then be described as semiconductors with stuffing magnetic
ions which have a local moment: For example, 22 electron MnNiSb can be written
Mn[NiSb]. The tendency in the 18 electron compound for a
semiconducting gap -- believed to arise from strong covalency -- is carried
over in MnNiSb to a tendency for a gap in one spin direction. Here we similarly
propose the systematic examination of 18-electron hexagonal compounds for
semiconducting gaps; these would be the "stuffed wurtzite" analogues of the
"stuffed zinc blende" half-Heusler compounds. These semiconductors could then
serve as the basis for possibly new families of half-metallic compounds,
attained through appropriate replacement of non-magnetic ions by magnetic ones.
These semiconductors and semimetals with tunable charge carrier concentrations
could also be interesting in the context of magnetoresistive and thermoelectric
materials.Comment: 11 pages, 6 figures, of which 4 are colou
Velocity Correlations, Diffusion and Stochasticity in a One-Dimensional System
We consider the motion of a test particle in a one-dimensional system of
equal-mass point particles. The test particle plays the role of a microscopic
"piston" that separates two hard-point gases with different concentrations and
arbitrary initial velocity distributions. In the homogeneous case when the
gases on either side of the piston are in the same macroscopic state, we
compute and analyze the stationary velocity autocorrelation function C(t).
Explicit expressions are obtained for certain typical velocity distributions,
serving to elucidate in particular the asymptotic behavior of C(t). It is shown
that the occurrence of a non-vanishing probability mass at zero velocity is
necessary for the occurrence of a long-time tail in C(t). The conditions under
which this is a tail are determined. Turning to the inhomogeneous
system with different macroscopic states on either side of the piston, we
determine its effective diffusion coefficient from the asymptotic behavior of
the variance of its position, as well as the leading behavior of the other
moments about the mean. Finally, we present an interpretation of the effective
noise arising from the dynamics of the two gases, and thence that of the
stochastic process to which the position of any particle in the system reduces
in the thermodynamic limit.Comment: 22 files, 2 eps figures. Submitted to PR
The Prevalence of Latent Mycobacterium Tuberculosis Infection Based on an Interferon-γ Release Assay: A Cross-Sectional Survey Among Urban Adults in Mwanza, Tanzania.
One third of the world's population is estimated to be latently infected with Mycobacterium tuberculosis (LTBI). Surveys of LTBI are rarely performed in resource poor TB high endemic countries like Tanzania although low-income countries harbor the largest burden of the worlds LTBI. The primary objective was to estimate the prevalence of LTBI in household contacts of pulmonary TB cases and a group of apparently healthy neighborhood controls in an urban setting of such a country. Secondly we assessed potential impact of LTBI on inflammation by quantitating circulating levels of an acute phase reactant: alpha-1-acid glycoprotein (AGP) in neighborhood controls. The study was nested within the framework of two nutrition studies among TB patients in Mwanza, Tanzania. Household contacts- and neighborhood controls were invited to participate. The study involved a questionnaire, BMI determination and blood samples to measure AGP, HIV testing and a Quantiferon Gold In tube (QFN-IT) test to detect signs of LTBI. 245 household contacts and 192 neighborhood controls had available QFN-IT data. Among household contacts, the proportion of QFT-IT positive was 59% compared to 41% in the neighborhood controls (p = 0.001). In a linear regression model adjusted for sex, age, CD4 and HIV, a QFT-IT positive test was associated with a 10% higher level of alpha-1-acid glycoprotein(AGP) (10(B) 1.10, 95% CI 1.01; 1.20, p = 0.03), compared to individuals with a QFT-IT negative test. LTBI is highly prevalent among apparently healthy urban Tanzanians even without known exposure to TB in the household. LTBI was found to be associated with elevated levels of AGP. The implications of this observation merit further studies
Катетерный тромболизис в лечении острого венозного илиофеморального тромбоза в Дании
ТРОМБОЛИТИЧЕСКАЯ ТЕРАПИЯКАТЕТЕРИЗАЦИЯТРОМБОЗ ВЕНОЗНЫЙ /ЛЕК ТЕРКОНЕЧНОСТЬ НИЖНЯ
Effects of pulsing of the target tone on the audibility of partials in inharmonic complex tones
Development and experimental validation of kinetic models for the hydrogenation/dehydrogenation of Mg/Al based metal waste for energy storage
With the increased use of renewable energy sources, the need to store large amounts of energy will become increasingly important in the near future. A cost efficient possibility is to use the reaction of recycled Mg waste with hydrogen as thermo-chemical energy storage. Owing to the high reaction enthalpy, the moderate pressure and appropriate temperature conditions, the broad abundance and the recyclability, the Mg/Al alloy is perfectly suitable for this purpose. As further development of a previous work, in which the performance of recycled Mg/Al waste was presented, a kinetic model for hydro- and dehydrogenation is derived in this study. Temperature and pressure dependencies are determined, as well as the rate limiting step of the reaction. First experiments are carried out in an autoclave with a scaled-up powder mass, which is also used to validate the model by simulating the geometry with the scaled-up experiments at different conditions
Geometric, electronic, and magnetic structure of CoFeSi: Curie temperature and magnetic moment measurements and calculations
In this work a simple concept was used for a systematic search for new
materials with high spin polarization. It is based on two semi-empirical
models. Firstly, the Slater-Pauling rule was used for estimation of the
magnetic moment. This model is well supported by electronic structure
calculations. The second model was found particularly for Co based Heusler
compounds when comparing their magnetic properties. It turned out that these
compounds exhibit seemingly a linear dependence of the Curie temperature as
function of the magnetic moment. Stimulated by these models, CoFeSi was
revisited. The compound was investigated in detail concerning its geometrical
and magnetic structure by means of X-ray diffraction, X-ray absorption and
M\"o\ss bauer spectroscopies as well as high and low temperature magnetometry.
The measurements revealed that it is, currently, the material with the highest
magnetic moment () and Curie-temperature (1100K) in the classes of
Heusler compounds as well as half-metallic ferromagnets. The experimental
findings are supported by detailed electronic structure calculations
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