Observation of particle hole asymmetry and phonon excitations in non-Fermi liquid systems: A high-resolution photoemission study of ruthenates

We investigate the temperature evolution of the electronic states in the vicinity of the Fermi level of a non-Fermi liquid (NFL) system, CaRuO3 using ultra high-resolution photoemission spectroscopy; isostructural SrRuO3 exhibiting Fermi liquid behavior despite similar electron interaction parameters as that of CaRuO3, is used as a reference. High-energy resolution in this study helps to reveal particle-hole asymmetry in the excitation spectra of CaRuO3 in contrast to that in SrRuO3. In addition, we observe signature of phonon excitations in the photoemission spectra of CaRuO3 at finite temperatures while these are weak in SrRuO3.Comment: 4 pages including 3 figure

Binuclear Complexes Involving Quadridentate Schiff Bases of 3-FormylsaUcyUc Acid

602-60

Magnetic Response in a Zigzag Carbon Nanotube

Magnetic response of interacting electrons in a zigzag carbon nanotube threaded by a magnetic flux is investigated within a Hartree-Fock mean field approach. Following the description of energy spectra for both non-interacting and interacting cases we analyze the behavior of persistent current in individual branches of a nanotube. Our present investigation leads to a possibility of getting a filling-dependent metal-insulator transition in a zigzag carbon nanotube.Comment: 9 pages, 14 figure

Elasticity of DNA and the effect of Dendrimer Binding

Negatively charged DNA can be compacted by positively charged dendrimers and the degree of compaction is a delicate balance between the strength of the electrostatic interaction and the elasticity of DNA. We report various elastic properties of short double stranded DNA (dsDNA) and the effect of dendrimer binding using fully atomistic molecular dynamics and numerical simulations. In equilibrium at room temperature, the contour length distribution P(L) and end-to-end distance distribution P(R) are nearly Gaussian, the former gives an estimate of the stretch modulus {\gamma}_1 of dsDNA in quantitative agreement with the literature value. The bend angle distribution P({\theta}) of the dsDNA also has a Gaussian form and allows to extract a persistence length, L_p of 43 nm. When the dsDNA is compacted by positively charged dendrimer, the stretch modulus stays invariant but the effective bending rigidity estimated from the end-to-end distance distribution decreases dramatically due to backbone charge neutralization of dsDNA by dendrimer. We support our observations with numerical solutions of the worm-like-chain (WLC) model as well as using non-equilibrium dsDNA stretching simulations. These results are helpful in understanding the dsDNA elasticity at short length scales as well as how the elasticity is modulated when dsDNA binds to a charged object such as a dendrimer or protein.Comment: 21 pages, 5 figure

Effect of non-magnetic impurities on the magnetic states of anatase TiO2_2

The electronic and magnetic properties of TiO$_2$, TiO$_{1.75}$, TiO$_{1.75}$N$_{0.25}$, and TiO$_{1.75}$F$_{0.25}$ compounds have been studied by using \emph{ab initio} electronic structure calculations. TiO$_2$ is found to evolve from a wide-band-gap semiconductor to a narrow-band-gap semiconductor to a half-metallic state and finally to a metallic state with oxygen vacancy, N-doping and F-doping, respectively. Present work clearly shows the robust magnetic ground state for N- and F-doped TiO$_2$. The N-doping gives rise to magnetic moment of $\sim$0.4 $\mu_B$ at N-site and $\sim$0.1 $\mu_B$ each at two neighboring O-sites, whereas F-doping creates a magnetic moment of $\sim$0.3 $\mu_B$ at the nearest Ti atom. Here we also discuss the possible cause of the observed magnetic states in terms of the spatial electronic charge distribution of Ti, N and F atoms responsible for bond formation.Comment: 11 pages, 4 figures To appear J. Phys.: Condens. Matte

Evolution of the Kondo resonance feature and its relationship to spin-orbit coupling across the quantum critical point in Ce2Rh{1-x}CoxSi3

We investigate the evolution of the electronic structure of Ce2Rh{1-x}CoxSi3 as a function of x employing high resolution photoemission spectroscopy. Co substitution at the Rh sites in antiferromagnetic Ce2RhSi3 leads to a transition from an antiferromagnetic system to a Kondo system, Ce2CoSi3 via the Quantum Critical Point (QCP). High resolution photoemission spectra reveal distinct signature of the Kondo resonance feature (KRF) and its spin orbit split component (SOC) in the whole composition range indicating finite Kondo temperature scale at the quantum critical point. We observe that the intensity ratio of the Kondo resonance feature and its spin orbit split component, KRF/SOC gradually increases with the decrease in temperature in the strong hybridization limit. The scenario gets reversed if the Kondo temperature becomes lower than the magnetic ordering temperature. While finite Kondo temperature within the magnetically ordered phase indicates applicability of the spin density wave picture at the approach to QCP, the dominant temperature dependence of the spin-orbit coupled feature suggests importance of spin-orbit interactions in this regime.Comment: 6 figure

Correlation and surface effects in Vanadium Oxides

Recent photoemission experiments have shown strong surface modifications in the spectra from vanadium oxides as (V,Cr)_2O_3 or (Sr,Ca)VO_3. The effective mass is enhanced at the surface and the coherent part of the surface spectrum is narrowed as compared to the bulk. The quasiparticle weight is more sensitive at the surface than in the bulk against bandwidth variations. We investigate these effects theoretically considering the single-band Hubbard model for a film geometry. A simplified dynamical mean-field scheme is used to calculate the main features of the interacting layer-dependent spectral function. It turns out that the experimentally confirmed effects are inherent properties of a system of strongly correlated electrons. The reduction of the weight and the variance of the coherent part of the surface spectrum can be traced back to the reduced surface coordination number. Surface correlation effects can be strongly amplified by changes of the hopping integrals at the surface.Comment: to appear in PRB; 8 pages, 6 figure