Hidden Symmetries and their Consequences in t2gt_{2g} Cubic Perovskites

The five-band Hubbard model for a $d$ band with one electron per site is a model which has very interesting properties when the relevant ions are located at sites with high (e. g. cubic) symmetry. In that case, if the crystal field splitting is large one may consider excitations confined to the lowest threefold degenerate $t_{2g}$ orbital states. When the electron hopping matrix element ($t$) is much smaller than the on-site Coulomb interaction energy ($U$), the Hubbard model can be mapped onto the well-known effective Hamiltonian (at order $t^{2}/U$) derived by Kugel and Khomskii (KK). Recently we have shown that the KK Hamiltonian does not support long range spin order at any nonzero temperature due to several novel hidden symmetries that it possesses. Here we extend our theory to show that these symmetries also apply to the underlying three-band Hubbard model. Using these symmetries we develop a rigorous Mermin-Wagner construction, which shows that the three-band Hubbard model does not support spontaneous long-range spin order at any nonzero temperature and at any order in $t/U$ -- despite the three-dimensional lattice structure. Introduction of spin-orbit coupling does allow spin ordering, but even then the excitation spectrum is gapless due to a subtle continuous symmetry. Finally we showed that these hidden symmetries dramatically simplify the numerical exact diagonalization studies of finite clusters.Comment: 26 pages, 3 figures, 520 KB, submitted Phys. Rev.

Van Hove Singularity and D-Wave Pairing in Disordered Superconductors

We apply the coherent potential approximation (CPA) to a simple model for disordered superconductors with d-wave pairing. We demonstrate that whilst the effectiveness of an electronic Van Hove singularity to enhance the transition temperature T$_c$ is reduced by disorder it is not eliminated. In fact we give a qualitative account of changes in the T$_c$ vs. doping curve with increasing disorder and compare our results with experiments on the Y_{0.8}Ca_{0.2}Ba_2(Cu_{1-c}Zn_c)_{3}O_{7-\delta} alloys.Comment: 4 pages of text and 7 postscript file

Charge on the quantum dot in the presence of tunneling current

The calculation of the charge present in central region of the double barrier structure at non-equilibrium conditions is discussed. We propose here a simple method to calculate non equilibrium Green's functions which allows consistent calculations of retarded and distribution functions. To illustrate the approach we calculate the charge on the quantum dot coupled {\it via} tunnel barriers to two external leads having different chemical potentials $\mu_L$ and $\mu_R$. The obtained results have been compared with other approaches existing in the literature. They all agree in the equilibrium situation and the departures grow with increasing the difference $\mu_L-\mu_R$.Comment: 9 pages, 2 (.eps) figures, to be published in Solid State Commu

Metal insulator transition in TlSr2CoO5 from orbital degeneracy and spin disproportionation

To describe the metal insulator transition in the new oxide TlSr2CoO5 we investigate its electronic structure by LDA and model Hartree-Fock calculations. Within LDA we find a homogeneous metallic and ferromagnetic ground state, but when including the Coulomb interaction more explicitly within the Hartree-Fock approximation, we find an insulating state of lower energy with both spin and orbital order. We also interpret our results in terms of a simple model.Comment: 8 pages, 9 figure

Lattice Distortion and Magnetic Ground State of YTiO3_3 and LaTiO3_3

Effects of lattice distortion on the magnetic ground state of YTiO$_3$ and LaiO$_3$ are investigated on the basis accurate tight-binding parametrization of the $t_{2g}$ electronic structure extracted from the local-density approximation. The complexity of these compounds is related with the fact that the $t_{2g}$-level splitting, caused by lattice distortions, is comparable with the energies of superexchange and spin-orbit interactions. Therefore, all these interactions are equally important and should be treated on an equal footing. The Hartree-Fock approximation fails to provide a coherent description simultaneously for YTiO$_3$ and LaTiO$_3$, and it is essential to go beyond.Comment: 4 pages, 3 figures (good quality figures are available via e-mail

Superconductivity in striped and multi-Fermi-surface Hubbard models: From the cuprates to the pnictides

Single- and multi-band Hubbard models have been found to describe many of the complex phenomena that are observed in the cuprate and iron-based high-temperature superconductors. Simulations of these models therefore provide an ideal framework to study and understand the superconducting properties of these systems and the mechanisms responsible for them. Here we review recent dynamic cluster quantum Monte Carlo simulations of these models, which provide an unbiased view of the leading correlations in the system. In particular, we discuss what these simulations tell us about superconductivity in the homogeneous 2D single-orbital Hubbard model, and how charge stripes affect this behavior. We then describe recent simulations of a bilayer Hubbard model, which provides a simple model to study the type and nature of pairing in systems with multiple Fermi surfaces such as the iron-based superconductors.Comment: Published as part of Superstripes 2011 (Rome) conference proceeding

Landau Expansion for the Kugel-Khomskii t2gt_{2g} Hamiltonian

The Kugel-Khomskii (KK) Hamiltonian for the titanates describes spin and orbital superexchange interactions between $d^1$ ions in an ideal perovskite structure in which the three $t_{2g}$ orbitals are degenerate in energy and electron hopping is constrained by cubic site symmetry. In this paper we implement a variational approach to mean-field theory in which each site, $i$, has its own $n \times n$ single-site density matrix \rhov(i), where $n$, the number of allowed single-particle states, is 6 (3 orbital times 2 spin states). The variational free energy from this 35 parameter density matrix is shown to exhibit the unusual symmetries noted previously which lead to a wavevector-dependent susceptibility for spins in $\alpha$ orbitals which is dispersionless in the $q_\alpha$-direction. Thus, for the cubic KK model itself, mean-field theory does not provide wavevector `selection', in agreement with rigorous symmetry arguments. We consider the effect of including various perturbations. When spin-orbit interactions are introduced, the susceptibility has dispersion in all directions in ${\bf q}$-space, but the resulting antiferromagnetic mean-field state is degenerate with respect to global rotation of the staggered spin, implying that the spin-wave spectrum is gapless. This possibly surprising conclusion is also consistent with rigorous symmetry arguments. When next-nearest-neighbor hopping is included, staggered moments of all orbitals appear, but the sum of these moments is zero, yielding an exotic state with long-range order without long-range spin order. The effect of a Hund's rule coupling of sufficient strength is to produce a state with orbital order.Comment: 20 pages, 5 figures, submitted to Phys. Rev. B (2003

Dark Energy and Extending the Geodesic Equations of Motion: Its Construction and Experimental Constraints

With the discovery of Dark Energy, $\Lambda_{DE}$, there is now a universal length scale, $\ell_{DE}=c/(\Lambda_{DE} G)^{1/2}$, associated with the universe that allows for an extension of the geodesic equations of motion. In this paper, we will study a specific class of such extensions, and show that contrary to expectations, they are not automatically ruled out by either theoretical considerations or experimental constraints. In particular, we show that while these extensions affect the motion of massive particles, the motion of massless particles are not changed; such phenomena as gravitational lensing remain unchanged. We also show that these extensions do not violate the equivalence principal, and that because $\ell_{DE}=14010^{800}_{820}$ Mpc, a specific choice of this extension can be made so that effects of this extension are not be measurable either from terrestrial experiments, or through observations of the motion of solar system bodies. A lower bound for the only parameter used in this extension is set.Comment: 19 pages. This is the published version of the first half of arXiv:0711.3124v2 with corrections include

Sub-collision hyperfine structure of nonlinear-optical resonance with field scanning

Some experimental evidences for methane are produced that the simple transition from frequency scanning of nonlinear-optical resonances to magnetic one may be accompanied with transition from sub-Doppler collisionally broadened structure to sub-collision hyperfine one. It is conditioned by nonlinearity of splitting of hyperfine sublevel for molecules in the adiabatically varied magnetic field and respectively breaking the analogy of magnetic and frequency scannings. The exact calculation of the resonance structure is considered for molecules with only one spin subsystem. The approximately spin-additive calculation of the structure is given for sufficiently fast rotating molecules with greater number of spin subsystems. Within the same approximation an example of hyperfine doubling in the magnetic and electric spectra of nonlinear-optical resonance is considered for fluoromethane.Comment: 56 pages, 10 figures, accepted for publication in J. Mol. Spectrosc

Magnetic Phases of Electron-Doped Manganites

We study the anisotropic magnetic structures exhibited by electron-doped manganites using a model which incorporates the double-exchange between orbital ly degenerate $e_{g}$ electrons and the super-exchange between $t_{2g}$ electrons with realistic values of the Hund's coupling($J_H$), the super-exchange coupling($J_{AF}$), and the bandwidth($W$). We look at the relative stabilities of the G, C and A type antiferromagnetic ph ases. In particular we find that the G-phase is stable for low electron doping as seen in experiments. We find good agreement with the experimentally observed magnetic phase diagrams of electron-doped manganites ($x > 0.5$) such as Nd$_{1-x}$Sr$_{x}$MnO$_{3}$, Pr$_{1-x}$Sr$_{x}$MnO$_{3}$, and Sm$_{1-x}$Ca$_{x}$MnO$_{3}$. We can also explain the experimentally observed orbital structures of the C a nd A phases. We also extend our calculation for electron-doped bilayer manganites of the form R$_{2-2x}$A$_{1+2x}$Mn$_2$O$_7$ and predict that the C-phase will be absent in t hese systems due to their reduced dimensionality.Comment: 7 .ps files included. To appear in Phys. Rev. B (Feb 2001