Spectral Density of the Two-Impurity Anderson Model

We investigate static and dynamical ground-state properties of the two-impurity Anderson model at half filling in the limit of vanishing impurity separation using the dynamical density-matrix renormalization group method. In the weak-coupling regime, we find a quantum phase transition as function of inter-impurity hopping driven by the charge degrees of freedom. For large values of the local Coulomb repulsion, the transition is driven instead by a competition between local and non-local magnetic correlations. We find evidence that, in contrast to the usual phenomenological picture, it seems to be the bare effective exchange interactions which trigger the observed transition.Comment: 18 pages, 6 figures, submitted to J. Phys.:Condens. Matte

Optical Conductivity of the Trellis-Lattice t-J Model: Charge Fluctuations in NaV_2O_5

Optical conductivity of the trellis lattice t-J model at quarter filling is calculated by an exact-diagonalization technique on small clusters, whereby the valence state of V ions of NaV_2O_5 is considered. We show that the experimental features at \sim 1 eV, including peak positions, presence of shoulders, and anisotropic spectral weight, can be reproduced in reasonable range of parameter values, only by assuming that the system is in the charge disproportionated ground state. Possible reconciliation with experimental data suggesting the presence of uniform ladders at T>T_c is discussed.Comment: 4 pages, 4 gif figures. Minor revisions have been made. Hardcopies of figures (or the entire manuscript) can be obtained by e-mail request to [email protected]

Correlation function for the one-dimensional extended Hubbard model at quarter filling

We examine the density-density correlation function in the Tomonaga-Luttinger liquid state for the one-dimensional extended Hubbard model with the on-site Coulomb repulsion $U$ and the intersite repulsion $V$ at quarter filling. By taking into account the effect of the marginally irrelevant umklapp scattering operator by utilizing the renormalization-group technique based on the bosonization method, we obtain the generalized analytical form of the correlation function. We show that, in the proximity to the gapped charge-ordered phase, the correlation function exhibits anomalous crossover between the pure power-law behavior and the power-law behavior with logarithmic corrections, depending on the length scale. Such a crossover is also confirmed by the highly-accurate numerical density-matrix renormalization group method.Comment: 6 pages, 3 figure

Kitaev interactions between j=1/2 moments in honeycomb Na2IrO3 are large and ferromagnetic: insights from ab initio quantum chemistry calculations

Na$_2$IrO$_3$, a honeycomb 5$d^5$ oxide, has been recently identified as a potential realization of the Kitaev spin lattice. The basic feature of this spin model is that for each of the three metal-metal links emerging out of a metal site, the Kitaev interaction connects only spin components perpendicular to the plaquette defined by the magnetic ions and two bridging ligands. The fact that reciprocally orthogonal spin components are coupled along the three different links leads to strong frustration effects and nontrivial physics. While the experiments indicate zigzag antiferromagnetic order in Na$_2$IrO$_3$, the signs and relative strengths of the Kitaev and Heisenberg interactions are still under debate. Herein we report results of ab initio many-body electronic structure calculations and establish that the nearest-neighbor exchange is strongly anisotropic with a dominant ferromagnetic Kitaev part, whereas the Heisenberg contribution is significantly weaker and antiferromagnetic. The calculations further reveal a strong sensitivity to tiny structural details such as the bond angles. In addition to the large spin-orbit interactions, this strong dependence on distortions of the Ir$_2$O$_2$ plaquettes singles out the honeycomb 5$d^5$ oxides as a new playground for the realization of unconventional magnetic ground states and excitations in extended systems.Comment: 13 pages, 2 tables, 3 figures, accepted in NJ

Prominent 5d-orbital contribution to the conduction electrons in gold

We have examined the valence-band electronic structures of gold and silver in the same column in the periodic table with nominally filled d orbitals by means of a recently developed polarization-dependent hard x-ray photoemission. Contrary to a common expectation, it is found that the 5d-orbital electrons contribute prominently to the conduction electrons in gold while the conduction electrons in silver are to some extent free-electron-like with negligible 4d contribution, which could be related to a well-known fact that gold is more stable than silver in air. The 4d electron correlation effects are found to be essential for the conduction electron character in silver.Comment: 8 pages, 4 figures, to be appeared in New J. Phys

Density-matrix renormalisation group approach to quantum impurity problems

A dynamic density-matrix renormalisation group approach to the spectral properties of quantum impurity problems is presented. The method is demonstrated on the spectral density of the flat-band symmetric single-impurity Anderson model. We show that this approach provides the impurity spectral density for all frequencies and coupling strengths. In particular, Hubbard satellites at high energy can be obtained with a good resolution. The main difficulties are the necessary discretisation of the host band hybridised with the impurity and the resolution of sharp spectral features such as the Abrikosov-Suhl resonance.Comment: 16 pages, 6 figures, submitted to Journal of Physics: Condensed Matte

Landau mapping and Fermi liquid parameters of the 2D t-J model

We study the momentum distribution function n(k) in the 2D t-J model on small clusters by exact diagonalization. We show that n(k) can be decomposed systematically into two components with Bosonic and Fermionic doping dependence. The Bosonic component originates from the incoherent motion of holes and has no significance for the low energy physics. For the Fermionic component we exlicitely perform the one-to-one Landau mapping between the low lying eigenstates of the t-J model clusters and those of an equivalent system of spin-1/2 quasiparticles. This mapping allows to extract the quasiparticle dispersion, statistics, and Landau parameters. The results show conclusively that the 2D t-J model for small doping is a Fermi liquid with a `small' Fermi surface and a moderately strong attractive interaction between the quasiparticles.Comment: Revtex file, 5 pages with 5 embedded eps-files, hardcopies of figures (or the entire manuscript) can be obtained by e-mail request to: [email protected]

Electronic States and Superconducting Transition Temperature based on the Tomonaga-Luttinger liquid in Pr2_{2}Ba4_{4}Cu7_{7}O15−δ_{15-\delta}

An NQR experiment revealed superconductivity of Pr$_2$Ba$_4$Cu$_7$O$_{15-\delta}$ (Pr247) to be realized on CuO double chain layers and suggests possibility of novel one-dimensional(1D) superconductivity. To clarify the nature of the 1D superconductivity, we calculate the band dispersions of Pr247 by using the generalized gradient approximation(GGA). It indicates that Fermi surface of CuO double chains is well described to the electronic structure of a quasi-1D system. Assuming the zigzag Hubbard chain model to be an effective model of the system, we derive tight binding parameters of the model from a fit to the result of GGA. Based on the Tomonaga-Luttinger liquid theory, we estimate transition temperature ($T_c$) of the quasi-1D zigzag Hubbard model from the calculated value of the Luttinger liquid parameter $K_{\rho}$. The result of $T_c$ is consistent with that of experiments in Pr247 and it suggests that the mechanism of the superconductivity is well understood within the concept of the Tomonaga-Luttinger liquid.Comment: 4 pages, 5 figure