Electronic structure investigation of CeB6 by means of soft X-ray scattering

The electronic structure of the heavy fermion compound CeB6 is probed by resonant inelastic soft X-ray scattering using photon energies across the Ce 3d and 4d absorption edges. The hybridization between the localized 4f orbitals and the delocalized valence-band states is studied by identifying the different spectral contributions from inelastic Raman scattering and normal fluorescence. Pronounced energy-loss structures are observed below the elastic peak at both the 3d and 4d thresholds. The origin and character of the inelastic scattering structures are discussed in terms of charge-transfer excitations in connection to the dipole allowed transitions with 4f character. Calculations within the single impurity Anderson model with full multiplet effects are found to yield consistent spectral functions to the experimental data.Comment: 9 pages, 4 figures, 1 table, http://link.aps.org/doi/10.1103/PhysRevB.63.07510

INTERLAYER COUPLING AND THE METAL-INSULATOR TRANSITION IN Pr-SUBSTITUTED Bi(2)Sr(2)CaCu(2)O(8+y)

Substitution of rare-earth ions for Ca in Bi2Sr2CaCu2O8+y is known to cause a metal-insulator transition. Using resonant photoemission we study how this chemical substitution affects the electronic structure of the material. For the partial Cu-density of states at E_F and in the region of the valence band we observe no significant difference between a pure superconducting sample and an insulating sample with 60% Pr for Ca. This suggests that the states responsible for superconductivity are predomi- nately O-states. The partial Pr-4f density of states was extracted utilizing the Super- Koster-Kronig Pr 4d-4f resonance. It consists of a single peak at 1.36eV binding energy. The peak shows a strongly assymetric Doniach-Sunjic line- shape indicating the presence of a continuum of electronic states with sharp cut off at E_F even in this insulating sample. This finding excludes a bandgap in the insulating sample and supports the existance of a mobility gap caused by spatial localization of the carriers. The presence of such carriers at the Pr-site, between the CuO_2 planes shows that the electronic structure is not purely 2-dimensional but that there is a finite interlayer coupling. The resonance enhancement of the photoemission cross section, at the Pr-4d threshold, was studied for the Pr-4f and for Cu-states. Both the Pr-4f and the Cu-states show a Fano-like resonance. This resonance of Cu-states with Pr-states is another indication of coupling between the the Pr-states and those in the CuO_2 plane. Because of the statistical distribution of the Pr-ions this coupling leads to a non-periodic potential for the states in the CuO_2 plane which can lead to localization and thus to the observed metal-insulator transition.Comment: Gziped uuencoded postscript file including 7 figures Scheduled for publication in Physical Review B, May 1, 1995

Band Calculation for Ce-compounds on the basis of Dynamical Mean Field Theory

The band calculation scheme for $f$ electron compounds is developed on the basis of the dynamical mean field theory (DMFT) and the LMTO method. The auxiliary impurity problem is solved by a method named as NCA$f^{2}$v', which includes the correct exchange process of the $f^{1} \to f^{2}$ virtual excitation as the vertex correction to the non-crossing approximation (NCA) for the $f^{1} \to f^{0}$ fluctuation. This method leads to the correct magnitude of the Kondo temperature, $T_{\rm K}$, and makes it possible to carry out quantitative DMFT calculation including the crystalline field (CF) and the spin-orbit (SO) splitting of the self-energy. The magnetic excitation spectra are also calculated to estimate $T_{\rm K}$. It is applied to Ce metal and CeSb at T=300 K as the first step. In Ce metal, the hybridization intensity (HI) just below the Fermi energy is reduced in the DMFT band. The photo-emission spectra (PES) have a conspicuous SO side peak, similar to that of experiments. $T_{\rm K}$ is estimated to be about 70 K in $\gamma$-Ce, while to be about 1700 K in $\alpha$-Ce. In CeSb, the double-peak-like structure of PES is reproduced. In addition, $T_{\rm K}$ which is not so low is obtained because HI is enhanced just at the Fermi energy in the DMFT band.Comment: 30pages, 18 figure

Dynamical Mean-Field Theory and Its Applications to Real Materials

Dynamical mean-field theory (DMFT) is a non-perturbative technique for the investigation of correlated electron systems. Its combination with the local density approximation (LDA) has recently led to a material-specific computational scheme for the ab initio investigation of correlated electron materials. The set-up of this approach and its application to materials such as (Sr,Ca)VO_3, V_2O_3, and Cerium is discussed. The calculated spectra are compared with the spectroscopically measured electronic excitation spectra. The surprising similarity between the spectra of the single-impurity Anderson model and of correlated bulk materials is also addressed.Comment: 20 pages, 9 figures, invited paper for the JPSJ Special Issue "Kondo Effect - 40 Years after the Discovery"; final version, references adde

The Kondo Resonance in Electron Spectroscopy

The Kondo resonance is the spectral manifestation of the Kondo properties of the impurity Anderson model, and also plays a central role in the dynamical mean-field theory (DMFT) for correlated electron lattice systems. This article presents an overview of electron spectroscopy studies of the resonance for the 4f electrons of cerium compounds, and for the 3d electrons of V_2O_3, including beginning efforts at using angle resolved photoemission to determine the k-dependence of the resonance. The overview includes the comparison and analysis of spectroscopy data with theoretical spectra as calculated for the impurity model and as obtained by DMFT, and the Kondo volume collapse calculation of the cerium alpha-gamma phase transition boundary, with its spectroscopic underpinnings.Comment: 32 pages, 11 figures, 151 references; paper for special issue of J. Phys. Soc. Jpn. on "Kondo Effect--40 Years after the Discovery

The spectral and magnetic properties of α\alpha- and γ\gamma-Ce from the Dynamical Mean-Field Theory and Local Density Approximation

We have calculated ground state properties and excitation spectra for Ce metal with the {\it ab initio} computational scheme combining local density approximation and dynamical mean-field theory (LDA+DMFT). We considered all electronic states, i.e. correlated f-states and non-correlated s-, p- and d-states. The strong local correlations (Coulomb interaction) among the f-states lead to typical many-body resonances in the partial f-density, such as lower and upper Hubbard band. Additionally the well known Kondo resonance is observed. The s-, p- and d-densities show small to mediate renormalization effects due to hybridization. We observe different Kondo temperatures for $\alpha$- and $\gamma$-Ce ($T_{K,\alpha}\approx 1000 K$ and $T_{K,\gamma}\approx 30 K$), due to strong volume dependence of the effective hybridization strength for the localized f-electrons. Finally we compare our results with a variety of experimental data, i.e. from photoemission spectroscopy (PES), inverse photoemission spectroscopy (BIS), resonant inverse photoemission spectroscopy (RIPES) and magnetic susceptibility measurements.Comment: 7 pages, 4 figure

Infrared and optical spectroscopy of alpha and gamma-phase Ce

We determined the optical properties of alpha- and gamma-phase Ce in the photon energy range from 60 meV to 2.5 eV using ellipsometry and grazing incidence reflectometry. We observe significant changes of the optical conductivity, the dynamical scattering rate, and the effective mass between alpha- and gamma-cerium. The alpha-phase is characterized by Fermi-liquid frequency dependent scattering rate, and an effective mass of about 20 m_e on an energy scale of about 0.2 eV. In gamma-Ce the charge carriers have a large scattering rate in the far infrared, and a carrier mass characteristic of 5d band electrons. In addition we observe a prominent absorption feature in alpha-Ce, which is absent in gamma-Ce, indicating significant differences of the electronic structure between the two phases.Comment: 5 pages, REVTeX, 2 eps-figures, Phys.Rev.Lett., in pres

Infrared light excites cells by changing their electrical capacitance

Optical stimulation has enabled important advances in the study of brain function and other biological processes, and holds promise for medical applications ranging from hearing restoration to cardiac pace making. In particular, pulsed laser stimulation using infrared wavelengths >1.5 μm has therapeutic potential based on its ability to directly stimulate nerves and muscles without any genetic or chemical pre-treatment. However, the mechanism of infrared stimulation has been a mystery, hindering its path to the clinic. Here we show that infrared light excites cells through a novel, highly general electrostatic mechanism. Infrared pulses are absorbed by water, producing a rapid local increase in temperature. This heating reversibly alters the electrical capacitance of the plasma membrane, depolarizing the target cell. This mechanism is fully reversible and requires only the most basic properties of cell membranes. Our findings underscore the generality of pulsed infrared stimulation and its medical potential