Low temperature behavior of the heavy Fermion Ce3Co4Sn13

The compound Ce3Co4Sn13 is an extremely heavy cubic heavy fermion system with a low temperature electronic specific heat of order ~4 J/mol-K2. If the compound is nonmagnetic, it would be one of the heaviest nonmagnetic Ce-based heavy fermions reported to date and therefore would be expected to lie extremely close to a quantum critical point. However, a broad peak of unknown origin is observed at 0.8 K in the specific heat and magnetic susceptibility, suggesting the possibility of antiferromagnetic order. We present neutron diffraction data from polycrystalline samples which do not show any sign of magnetic scattering below 0.8 K. In addition, we present inelastic neutron scattering data from a single crystal sample which is consistent with the 1.2 K energy scale for Kondo spin fluctuations determined from specific heat measurements.Comment: 4 pages, 2 figures, submitted to J. Mag. Mag. Mater. for ICM 200

Raman scattering studies of spin, charge, and lattice dynamics in Ca_{2-x}Sr_{x}RuO_{4} (0 =< x < 0.2)

We use Raman scattering to study spin, charge, and lattice dynamics in various phases of Ca_{2-x}Sr_{x}RuO_{4}. With increasing substitution of Ca by Sr in the range 0 =< x < 0.2, we observe (1) evidence for an increase of the electron-phonon interaction strength, (2) an increased temperature-dependence of the two-magnon energy and linewidth in the antiferromagnetic insulating phase, and (3) evidence for charge gap development, and hysteresis associated with the structural phase change, both of which are indicative of a first-order metal-insulator transition (T_{MI}) and a coexistence of metallic and insulating components for T < T_{MI}

Orbital Switching and the First-Order Insulator-Metal Transition in Paramagnetic V_2O_3

The first-order metal-insulator transition (MIT) in paramagnetic $V_{2}O_{3}$ is studied within the ab-initio scheme LDA+DMFT, which merges the local density approximation (LDA) with dynamical mean field theory (DMFT). With a fixed value of the Coulomb $U=6.0 eV$, we show how the abrupt pressure driven MIT is understood in a new picture: pressure-induced decrease of the trigonal distortion within the strong correlation scenario (which is not obtained within LDA). We find good quantitative agreement with $(i)$ switch of the orbital occupation of $(a_{1g},e_{g1}^{\pi}, e_{g2}^{\pi})$ and the spin state S=1 across the MIT, $(ii)$ thermodynamics and $dc$ resistivity, and $(iii)$ the one-electron spectral function, within this new scenario.Comment: 4 pages, 4 figures, submitted to PR

First-Order Transition to Incommensurate Phase with Broken Lattice Rotation Symmetry in Frustrated Heisenberg Model

We study a finite-temperature phase transition in the two-dimensional classical Heisenberg model on a triangular lattice with a ferromagnetic nearest-neighbor interaction $J_1$ and an antiferromagnetic third-nearest-neighbor interaction $J_3$ using a Monte Carlo method. Apart from a trivial degeneracy corresponding to O(3) spin rotations,the ground state for $J_3 \neq 0$ has a threefold degeneracy corresponding to 120 degree lattice rotations. We find that this model exhibits a first-order phase transition with the breaking of the threefold symmetry when the interaction ratio is $J_3/J_1=-3$.Comment: 4pages,5figure

Anomalous spin density distribution on oxygen and Ru in Ca1.5_{1.5}Sr0.5_{0.5}RuO4_4: A polarised neutron diffraction study

By means of polarized neutron diffraction in a magnetic field of 7.0 T at 1.6 K an anomalously large magnetization density is observed on the in-plane oxygen in Ca$_{1.5}$Sr$_{0.5}$RuO$_4$. Field-induced moments of different ions are determined by refinement on the flipping ratios, yielding $\mu$$_{Ru}$ = 0.346(11) $\mu$$_B$, $\mu_{O1}$ = 0.076(6) $\mu$$_B$ and $\mu_{O2}$ = 0.009(6) $\mu$$_B$. The moment on the oxygen arises from the strong hybridization between the Ru-4d and O-2p orbitals. %The maximum entropy method is used for the %reconstruction of the magnetization density and reveals a strongly anisotropic The maximum entropy magnetization density reconstruction reveals a strongly anisotropic density at the Ru site, consistent with the distribution of the {\it xy} ($t_{2g}$ band) {\it d}-orbitals.Comment: 4 pages 3 figure

Orbital Dependent Phase Control in Ca2-xSrxRuO4

We present first-principles studies on the orbital states of the layered perovskites Ca$_{2-x}$Sr$_x$RuO$_4$. The crossover from antiferromagnetic (AF) Mott insulator for $x < 0.2$ to nearly ferromagnetic (FM) metal at $x=0.5$ is characterized by the systematic change of the $xy$ orbital occupation. For the AF side ($x < 0.2$), we present firm evidence for the $xy$ ferro-orbital ordering. It is found that the degeneracy of $t_{2g}$ (or $e_g$) states is lifted robustly due to the two-dimensional (2D) crystal-structure, even without the Jahn-Teller distortion of RuO$_6$. This effect dominates, and the cooperative occupation of $xy$ orbital is concluded. In contrast to recent proposals, the resulting electronic structure explains well both the observed X-ray absorption spectra and the double peak structure of optical conductivity. For the FM side ($x=0.5$), however, the $xy$ orbital with half filling opens a pseudo-gap in the FM state and contributes to the spin $S$=1/2 moment (rather than $S$=1 for $x$=0.0 case) dominantly, while $yz,zx$ states are itinerant with very small spin polarization, explaining the recent neutron data consistently.Comment: 17 pages, 5 figure

Orbital-selective Mass Enhancements in Multi-band Ca2−x_{2-x}Srx_{x}RuO4_{4} Systems Analyzed by the Extended Drude Model

We investigated optical spectra of quasi-two-dimensional multi-band Ca$_{2-x}$Sr$_{x}$RuO$_{4}$ systems. The extended Drude model analysis on the ab-plane optical conductivity spectra indicates that the effective mass should be enhanced near $x=0.5$. Based on the sum rule argument, we showed that the orbital-selective Mott-gap opening for the $d_{yz/zx}$ bands, the widely investigated picture, could not be the origin of the mass enhancement. We exploited the multi-band effects in the extended Drude model analysis, and demonstrated that the intriguing heavy mass state near $x=0.5$ should come from the renormalization of the $d_{xy}$ band.Comment: 4 figure

Structural and magnetic aspects of the metal insulator transition in Ca2−x_{2-x}Srx_xRuO4_4

The phase diagram of Ca$_{2-x}$Sr$_x$RuO$_4$ has been studied by neutron diffraction on powder and single-crystalline samples. The experiments reveal antiferromagnetic order and structural distortions characterized by tilts and rotations of the RuO$_6$-octahedra. There is strong evidence that the structural details of the isovalent samples tune the magnetic as well as the electronic behavior. In particular we observe for low Sr-concentration a metal insulator transition associated with a structural change and magnetic ordering