272 research outputs found
The dimpling in the CuO_2 planes of YBa_2Cu_3O_x (x=6.806-6.984, T=20-300 K) measured by yttrium EXAFS
The dimpling of the CuO_2 planes (spacing between the O2,3 and Cu2 layers) in
YBa_2Cu_3O_x has been measured as a function of oxygen concentration and
temperature by yttrium x-ray extended-fine-structure spectroscopy (EXAFS). The
relative variations of the dimpling with doping (x=6.806-6.984) and temperature
(20-300 K) are weak (within 0.05 AA), and arise mainly from displacements of
the Cu2 atoms off the O2,3 plane towards Ba. The dimpling appears to be
connected with the transition from the underdoped to the overdoped regimes at
x=6.95, and with a characteristic temperature in the normal state, T*=150 K.Comment: 6 pages, 2 ps figs, LaTEX, Elsevier Elsart styl
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FEFF5: An ab initio multiple scattering XAFS code
FEFF5 is an efficient automated code which calculates multiple scattering (MS) curved wave XAFS spectra for molecules and solids. The theoretical ingredients and approximations contained in the code are revised, with the aim of describing the how XAFS spectra are efficiently simulated. The FEFF5 code consists of 4 independent modules: a scattering potential and phase shift module, a path finder module, a scattering amplitude module and an XAFS module. Multiple scattering Debye-Waller factors are built in using a correlated Debye model
X-ray Absorption Fine Structure in Embedded Atoms
Oscillatory structure is found in the atomic background absorption in
x-ray-absorption fine structure (XAFS). This atomic-XAFS or AXAFS arises from
scattering within an embedded atom, and is analogous to the Ramsauer-Townsend
effect. Calculations and measurements confirm the existence of AXAFS and show
that it can dominate contributions such as multi-electron excitations. The
structure is sensitive to chemical effects and thus provides a new probe of
bonding and exchange effects on the scattering potential.Comment: 4 pages plus 2 postscript figures, REVTEX 3.
Pd/Cu Site Interchange and Non-Fermi-Liquid Behavior in UCu_4Pd
X-ray-absorption fine-structure measurements of the local structure in
UCu_4Pd are described which indicate a probable lattice-disorder origin for
non-Fermi-liquid behavior in this material. Short Pd-Cu distances are observed,
consistent with 24 +/- 3% of the Pd atoms occupying nominally Cu sites. A
"Kondo disorder" model, based on the effect on the local Kondo temperature T_K
of this interchange and some additional bond-length disorder, agrees
quantitatively with previous experimental susceptibility data, and therefore
also with specific heat and magnetic resonance experiments.Comment: 4 pages, 3 PostScript figures, to be published in PR
Local lattice disorder in the geometrically-frustrated spin glass pyrochlore Y2Mo2O7
The geometrically-frustrated spin glass Y2Mo2O7 has been considered widely to
be crystallographically ordered with a unique nearest neighbor magnetic
exchange interaction, J. To test this assertion, we present x-ray-absorption
fine-structure results for the Mo and Y K edges as a function of temperature
and compare them to results from a well-ordered pyrochlore, Tl2Mn2O7. We find
that the Mo-Mo pair distances are significantly disordered at approximately
right angles to the Y-Mo pairs. These results strongly suggest that lattice
disorder nucleates the spin-glass phase in this material.Comment: 9 pages, 2 Postscript figures, Phys. Rev. B: Rapid, in pres
Spatial distribution of photoelectrons participating in formation of x-ray absorption spectra
Interpretation of x-ray absorption near-edge structure (XANES) experiments is
often done via analyzing the role of particular atoms in the formation of
specific peaks in the calculated spectrum. Typically, this is achieved by
calculating the spectrum for a series of trial structures where various atoms
are moved and/or removed. A more quantitative approach is presented here, based
on comparing the probabilities that a XANES photoelectron of a given energy can
be found near particular atoms. Such a photoelectron probability density can be
consistently defined as a sum over squares of wave functions which describe
participating photoelectron diffraction processes, weighted by their normalized
cross sections. A fine structure in the energy dependence of these
probabilities can be extracted and compared to XANES spectrum. As an
illustration of this novel technique, we analyze the photoelectron probability
density at the Ti K pre-edge of TiS2 and at the Ti K-edge of rutile TiO2.Comment: Journal abstract available on-line at
http://link.aps.org/abstract/PRB/v65/e20511
Possible charge inhomogeneities in the CuO2 planes of YBa2Cu3O6+x (x=0.25, 0.45, 0.65, 0.94) from pulsed neutron diffraction
The atomic pair distribution functions (PDF) of four powder samples of
YBa2Cu3O6+x (x=0.25, 0.45, 0.65, 0.94) at 15 K have been measured by means of
pulsed neutron diffraction. The PDF is modelled using a full-profile fitting
approach to yield structural parameters. In contrast to earlier XAFS work we
find no evidence of a split apical oxygen site. However, a slightly improved
fit over the average crystallographic model results when the planar Cu(2) site
is split along the z-direction. This is interpreted in terms of charge
inhomogeneities in the CuO2 planes.Comment: 8 pages, 3 figure
Heavy Metal Tolerance in Stenotrophomonas maltophilia
Stenotrophomonas maltophilia is an aerobic, non-fermentative Gram-negative bacterium widespread in the environment. S. maltophilia Sm777 exhibits innate resistance to multiple antimicrobial agents. Furthermore, this bacterium tolerates high levels (0.1 to 50 mM) of various toxic metals, such as Cd, Pb, Co, Zn, Hg, Ag, selenite, tellurite and uranyl. S. maltophilia Sm777 was able to grow in the presence of 50 mM selenite and 25 mM tellurite and to reduce them to elemental selenium (Se0) and tellurium (Te0) respectively. Transmission electron microscopy and energy dispersive X-ray analysis showed cytoplasmic nanometer-sized electron-dense Se0 granules and Te0 crystals. Moreover, this bacterium can withstand up to 2 mM CdCl2 and accumulate this metal up to 4% of its biomass. The analysis of soluble thiols in response to ten different metals showed eightfold increase of the intracellular pool of cysteine only in response to cadmium. Measurements by Cd K-edge EXAFS spectroscopy indicated the formation of Cd-S clusters in strain Sm777. Cysteine is likely to be involved in Cd tolerance and in CdS-clusters formation. Our data suggest that besides high tolerance to antibiotics by efflux mechanisms, S. maltophilia Sm777 has developed at least two different mechanisms to overcome metal toxicity, reduction of oxyanions to non-toxic elemental ions and detoxification of Cd into CdS
Effect of [OH-] linkages on luminescent properties of ZnO nanoparticles
Optical properties of ZnO nanoparticles prepared from a simple chemical
method using sodium zincate bath show strong white light emission. X-ray
absorption fine structure studies reveal a completely different local
environment around Zn in these ZnO nanoparticles. The observed luminescence
properties and local structural changes have been explained on the basis of a
linkage between Zn and OH- ions in the surface layers of ZnO nanoparticles.Comment: J. Phys. Chem. C. (2011) (in print
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