345 research outputs found
Electronic Structure of Dangling Bonds in Amorphous Silicon Studied via a Density-Matrix Functional Method
A structural model of hydrogenated amorphous silicon containing an isolated
dangling bond is used to investigate the effects of electron interactions on
the electronic level splittings, localization of charge and spin, and
fluctuations in charge and spin. These properties are calculated with a
recently developed density-matrix correlation-energy functional applied to a
generalized Anderson Hamiltonian, consisting of tight-binding one-electron
terms parametrizing hydrogenated amorphous silicon plus a local interaction
term. The energy level splittings approach an asymptotic value for large values
of the electron-interaction parameter U, and for physically relevant values of
U are in the range 0.3-0.5 eV. The electron spin is highly localized on the
central orbital of the dangling bond while the charge is spread over a larger
region surrounding the dangling bond site. These results are consistent with
known experimental data and previous density-functional calculations. The spin
fluctuations are quite different from those obtained with unrestricted
Hartree-Fock theory.Comment: 6 pages, 6 figures, 1 tabl
Dietary iron intakes based on food composition data may underestimate the contribution of potentially exchangeable contaminant iron from soil
Iron intakes calculated from one-day weighed records were compared with those from same day analyzed duplicate diet composites collected from 120 Malawian women living in two rural districts with contrasting soil mineralogy and where threshing may contaminate cereals with soil iron. Soils and diet composites from the two districts were then subjected to a simulated gastrointestinal digestion and iron availability in the digests measured using a Caco-2 cell model. Median analyzed iron intakes (mg/d) were higher (p < 0.001) than calculated intakes in both Zombwe (16.6 vs. 10.1 mg/d) and Mikalango (29.6 vs. 19.1 mg/d), attributed to some soil contaminant iron based on high Al and Ti concentrations in diet composites. A small portion of iron in acidic soil from Zombwe, but not Mikalango calcareous soil, was bioavailable, as it induced ferritin expression in the cells, and may have contributed to higher plasma ferritin and total body iron for the Zombwe women reported earlier, despite lower iron intakes. In conclusion, iron intakes calculated from food composition data were underestimated, highlighting the importance of analyzing duplicate diet composites where extraneous contaminant iron from soil is likely. Acidic contaminant soil may make a small but useful contribution to iron nutrition
Systematic Study of Electron Localization in an Amorphous Semiconductor
We investigate the electronic structure of gap and band tail states in
amorphous silicon. Starting with two 216-atom models of amorphous silicon with
defect concentration close to the experiments, we systematically study the
dependence of electron localization on basis set, density functional and spin
polarization using the first principles density functional code Siesta. We
briefly compare three different schemes for characterizing localization:
information entropy, inverse participation ratio and spatial variance. Our
results show that to accurately describe defect structures within self
consistent density functional theory, a rich basis set is necessary. Our study
revealed that the localization of the wave function associated with the defect
states decreases with larger basis sets and there is some enhancement of
localization from GGA relative to LDA. Spin localization results obtained via
LSDA calculations, are in reasonable agreement with experiment and with
previous LSDA calculations on a-Si:H models.Comment: 16 pages, 11 Postscript figures, To appear in Phys. Rev.
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Detection of flooded urban areas in high resolution Synthetic Aperture Radar images using double scattering
Flooding is a particular hazard in urban areas worldwide due to the increased risks to life and property in these regions. Synthetic Aperture Radar (SAR) sensors are often used to image flooding because of their all-weather day-night capability, and now possess sufficient resolution to image urban flooding. The flood extents extracted from the images may be used for flood relief management and improved urban flood inundation modelling.
A difficulty with using SAR for urban flood detection is that, due to its side-looking nature, substantial areas of urban ground surface may not be visible to the SAR due to radar layover and shadow caused by buildings and taller vegetation. This paper investigates whether urban flooding can be detected in layover regions (where flooding may not normally be apparent) using double scattering between the (possibly flooded) ground surface and the walls of adjacent buildings. The method estimates double scattering strengths using a SAR image in conjunction with a high resolution LiDAR (Light Detection and Ranging) height map of the urban area. A SAR simulator is applied to the LiDAR data to generate maps of layover and shadow, and estimate the positions of double scattering curves in the SAR image.
Observations of double scattering strengths were compared to the predictions from an electromagnetic scattering model, for both the case of a single image containing flooding, and a change detection case in which the flooded image was compared to an un-flooded image of the same area acquired with the same radar parameters. The method proved successful in detecting double scattering due to flooding in the single-image case, for which flooded double scattering curves were detected with 100% classification accuracy (albeit using a small sample set) and un-flooded curves with 91% classification accuracy. The same measures of success were achieved using change detection between flooded and un-flooded images. Depending on the particular flooding situation, the method could lead to improved detection of flooding in urban areas
Giant magnetothermopower of magnon-assisted transport in ferromagnetic tunnel junctions
We present a theoretical description of the thermopower due to
magnon-assisted tunneling in a mesoscopic tunnel junction between two
ferromagnetic metals. The thermopower is generated in the course of thermal
equilibration between two baths of magnons, mediated by electrons. For a
junction between two ferromagnets with antiparallel polarizations, the ability
of magnon-assisted tunneling to create thermopower depends on the
difference between the size of the majority and
minority band Fermi surfaces and it is proportional to a temperature dependent
factor where is the magnon Debye
energy. The latter factor reflects the fractional change in the net
magnetization of the reservoirs due to thermal magnons at temperature
(Bloch's law). In contrast, the contribution of magnon-assisted
tunneling to the thermopower of a junction with parallel polarizations is
negligible. As the relative polarizations of ferromagnetic layers can be
manipulated by an external magnetic field, a large difference results in a magnetothermopower effect. This
magnetothermopower effect becomes giant in the extreme case of a junction
between two half-metallic ferromagnets, .Comment: 9 pages, 4 eps figure
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