Modelling the Localized to Itinerant Electronic Transition in the Heavy Fermion System CeIrIn5

We address the fundamental question of crossover from localized to itinerant state of a paradigmatic heavy fermionmaterial CeIrIn5. The temperature evolution of the one electron spectra and the optical conductivity is predicted from first principles calculation. The buildup of coherence in the form of a dispersive many body feature is followed in detail and its effects on the conduction electrons and optical conductivity of the material is revealed. We find multiple hybridization gaps and link them to the crystal structure of the material. Our theoretical approach explains the multiple peak structures observed in optical experiments and the sensitivity of CeIrIn5 to substitutions of the transition metal element and may provide a microscopic basis for the more phenomenological descriptions currently used to interpret experiments in heavy fermion systems.Comment: 12 pages, 3 figure

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

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

Unusual superexchange pathways in a Ni triangular lattice of NiGa2_2S4_4 with negative charge-transfer energy

We have studied the electronic structure of the Ni triangular lattice in NiGa$_2$S$_4$ using photoemission spectroscopy and subsequent model calculations. The cluster-model analysis of the Ni 2$p$ core-level spectrum shows that the S 3$p$ to Ni 3$d$ charge-transfer energy is $\sim$ -1 eV and the ground state is dominated by the $d^9L$ configuration ($L$ is a S 3$p$ hole). Cell perturbation analysis for the NiS$_2$ triangular lattice indicates that the strong S 3$p$ hole character of the ground state provides the enhanced superexchange interaction between the third nearest neighbor sites.Comment: 10 pages, 5 figures, accepted to PR

Magnetic excitations in the metallic single-layer Ruthenates Ca(2-x)Sr(x)RuO(4) studied by inelastic neutron scattering

By inelastic neutron scattering, we have analyzed the magnetic correlations in the paramagnetic metallic region of the series Ca(2-x)Sr(x)RuO(4), 0.2<=x<=0.62. We find different contributions that correspond to 2D ferromagnetic fluctuations and to fluctuations at incommensurate wave vectors (0.11,0,0), (0.26,0,0) and (0.3,0.3,0). These components constitute the measured response as function of the Sr-concentration x, of the magnetic field and of the temperature. A generic model is applicable to metallic Ca(2-x)Sr(x)RuO(4) close to the Mott transition, in spite of their strongly varying physical properties. The amplitude, characteristic energy and width of the incommensurate components vary only little as function of x, but the ferromagnetic component depends sensitively on concentration, temperature and magnetic field. While ferromagnetic fluctuations are very strong in Ca1.38Sr0.62RuO4 with a low characteristic energy of 0.2 meV at T=1.5 K, they are strongly suppressed in Ca1.8Sr0.2RuO4, but reappear upon the application of a magnetic field and form a magnon mode above the metamagnetic transition. The inelastic neutron scattering results document how the competition between ferromagnetic and incommensurate antiferromagnetic instabilities governs the physics of this system

Thermoelectric response near a quantum critical point of beta-YbAlB4 and YbRh2Si2: A comparative study

The thermoelectric coefficients have been measured on the Yb-based heavy fermion compounds beta-YbAlB4 and YbRh2Si2 down to a very low temperature. We observe a striking difference in the behavior of the Seebeck coefficient, S in the vicinity of the Quantum Critical Point (QCP) in the two systems. As the critical field is approached, S/T enhances in beta-YbAlB4 but is drastically reduced in YbRh2Si2. While in the former system, the ratio of thermopower-to-specific heat remains constant, it drastically drops near the QCP in YbRh2Si2. In both systems, on the other hand, the Nernst coefficient shows a diverging behavior near the QCP. The results provide a new window to the way various energy scales of the system behave and eventually vanish near a QCP