371 research outputs found
Theory of STM Spectroscopy of Kondo Ions on Metal Surfaces
The conduction electron density of states nearby a single magnetic impurity,
as measured recently by scanning tunneling microscopy (STM), is calculated. It
is shown that the Kondo effect induces a narrow Fano resonance as an intrinsic
feature in the conduction electron density of states. The line shape varies
with the distance between STM tip and impurity, in qualitative agreement with
experiments, and is sensitive to details of the band structure. For a Co
impurity the experimentally observed width and shift of the Kondo resonance are
in accordance with those obtained from a combination of band structure and
strongly correlated calculations.Comment: 5 pages, 4 figures, presented at the NATO Advanced Research Workshop
on "Size Dependent Magnetic Scattering", Pecs, Hungary, May 28 - June 1, 200
Theory of the Fano Resonance in the STM Tunneling Density of States due to a Single Kondo Impurity
The conduction electron density of states nearby single magnetic impurities,
as measured recently by scanning tunneling microscopy (STM), is calculated,
taking into account tunneling into conduction electron states only. The Kondo
effect induces a narrow Fano resonance in the conduction electron density of
states, while scattering off the d-level generates a weakly energy dependent
Friedel oscillation. The line shape varies with the distance between STM tip
and impurity, in qualitative agreement with experiments, but is very sensitive
to details of the band structure. For a Co impurity the experimentally observed
width and shift of the Kondo resonance are in accordance with those obtained
from a combination of band structure and strongly correlated calculations.Comment: 4 pages, ReVTeX + 4 figures (Encapsulated Postscript), submitted to
PR
Dissociative recombination and rotational transitions of D in collisions with slow electrons
Rate coefficients for dissociative recombination and state-to-state
rotational transitions of the D ion induced by collisions with very
low-energy electrons have been reported following our previous studies on
HD and H [9,10]. The same molecular structure data sets,
excitations ( for
to ) and de-excitations ( ,
for to ) were used for collision energies ranging from
meV to eV. Isotopic effects for dissociative recombination and rotational
transitions of the vibrationally relaxed targets are presented.Comment: 7 pages, 7 figures, 4 table
Dissociative recombination of NH: A revisited study
Dissociative recombination of NH is explored in a two-step
theoretical study. In a first step, a diatomic (1D) rough model with frozen NN
bond and frozen angles is adopted, in the framework of the multichannel quantum
defect theory (MQDT). The importance of the indirect mechanism and of the
bending mode is revealed, in spite of the disagreement between our cross
section and the experimental one. In a second step, we use our recently
elaborated 3D approach based on the normal mode approximation combined with
R-matrix theory and MQDT. This approach results in satisfactory agreement with
storage-ring measurements, significantly better at very low energy than the
former calculations.Comment: 9 pages, 5 figures, 1 tabl
Nonlinear Hydrodynamics of a Hard Sphere Fluid Near the Glass Transition
We conduct a numerical study of the dynamic behavior of a dense hard sphere
fluid by deriving and integrating a set of Langevin equations. The statics of
the system is described by a free energy functional of the
Ramakrishnan-Yussouff form. We find that the system exhibits glassy behavior as
evidenced through stretched exponential decay and two-stage relaxation of the
density correlation function. The characteristic times grow with increasing
density according to the Vogel-Fulcher law. The wavenumber dependence of the
kinetics is extensively explored. The connection of our results with
experiment, mode coupling theory, and molecular dynamics results is discussed.Comment: 34 Pages, Plain TeX, 12 PostScript Figures (not included, available
on request
Population of ground and lowest excited states of Sulfur via the dissociative recombination of SH+ in the diffuse interstellar medium
Our previous study on dissociative recombination of ground state SH into
states of SH is extended by taking into account the contribution of
states recently explored by quantum chemistry methods. Multichannel
quantum defect theory is employed for the computation of cross sections and
rate coefficients for dissociative recombination, but also for vibrational
excitation. Furthermore, we produce the atomic yields resulting from
recombination, quantifying the generation of sulfur atoms in their ground
(\mbox{P}) and lowest excited (\mbox{D}) states respectively.Comment: 9 pages, 8 figures, 3 table
"m=1" coatings for neutron guides
A substantial fraction of the price for a supermirror neutron guide system is the shielding, which is needed because of the gamma radiation produced as a result of neutron absorption in the supermirror layers. Traditional coatings have been made of nickel-titanium heterostructures, but Ni and Ti also have a fairly high absorption cross section for cold and thermal neutrons. We examine a number of alternatives to Ni as part of a study to reduce the gamma radiation from neutron guides. Materials such as diamond and Be have higher neutron scattering density than Ni, smaller absorption cross section, and when a neutron is absorbed they emit gamma photons with lower energies. We present reflectivity data comparing Ni with Be and preliminary results from diamond coatings showing there use as neutron guide coatings. Calculations show that Be and diamond coatings emit two orders of magnitude fewer gamma photons compared to Ni, mainly because of the lower absorption cross section
"m=1" coatings for neutron guides
A substantial fraction of the price for a supermirror neutron guide system is the shielding, which is needed because of the gamma radiation produced as a result of neutron absorption in the supermirror layers. Traditional coatings have been made of nickel-titanium heterostructures, but Ni and Ti also have a fairly high absorption cross section for cold and thermal neutrons. We examine a number of alternatives to Ni as part of a study to reduce the gamma radiation from neutron guides. Materials such as diamond and Be have higher neutron scattering density than Ni, smaller absorption cross section, and when a neutron is absorbed they emit gamma photons with lower energies. We present reflectivity data comparing Ni with Be and preliminary results from diamond coatings showing there use as neutron guide coatings. Calculations show that Be and diamond coatings emit two orders of magnitude fewer gamma photons compared to Ni, mainly because of the lower absorption cross section
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