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 D2+_2^+ in collisions with slow electrons

Rate coefficients for dissociative recombination and state-to-state rotational transitions of the D$_{2}^{+}$ ion induced by collisions with very low-energy electrons have been reported following our previous studies on HD$^{+}$ and H$_{2}^{+}$ [9,10]. The same molecular structure data sets, excitations ($N_{i}^{+} \rightarrow$ $N_{f}^{+}=N_{i}^{+}+2$ for $N_{i}^{+}=0$ to $10$) and de-excitations ($N_{i}^{+}$ $\rightarrow$ $N_{f}^{+}=N_{i}^{+}-2$, for $N_{i}^{+}=2$ to $10$) were used for collision energies ranging from $0.01$ meV to $0.3$ 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 N2_2H+^+: A revisited study

Dissociative recombination of N$_2$H$^+$ 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 $^2\Pi$ states of SH is extended by taking into account the contribution of $^4\Pi$ 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{$^3$P}) and lowest excited (\mbox{$^1$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