Optical conductivity of filled skutterudites

A simple tight-binding model is constructed for the description of the electronic structure of some Ce-based filled skutterudite compounds showing an energy gap or pseudogap behavior. Assuming band-diagonal electron interactions on this tight-binding model, the optical conductivity spectrum is calculated by applying the second-order self-consistent perturbation theory to treat the electron correlation. The correlation effect is found to be of great importance on the description of the temperature dependence of the optical conductivity. The rapid disappearance of an optical gap with increasing temperature is obtained as observed in the optical experiment for Ce-based filled-skutterudite compounds.Comment: 6 pages, 7 figures, use jpsj2.cls, to appear in J. Phys. Soc. Jpn. Vol.73, No.10 (2004

Kondo Effect in Fermi Systems with a Gap: A Renormalization Group Study

We present the results of a Wilson Renormalization Group study of the single-impurity Kondo and Anderson models in a system with a gap in the conduction electron spectrum. The behavior of the impurity susceptibility and the zero-frequency response function, $T>$ are discussed in the cases with and without particle-hole symmetry. In addition, for the asymmetric Anderson model the correlation functions, $<\vec S \cdot\vec \sigma (0)>$,$$, and$$ are computed.Comment: 10 pages, 10 figure

Diffraction from Ordered States of Higher Multipoles

Possible ways of identification are discussed of an electronic order of higher multipoles such as octupoles and hexadecapoles. A particularly powerful method is resonant X-ray scattering (RXS) using quadrupolar resonance processes called E2.The characteristic azimuthal angle dependence of Ce$_{0.7}$La$_{0.3}$B$_6$ is interpreted as evidence of antiferro-octupole order. For PrRu$_4$P$_{12}$, eightfold pattern against azimuthal angle is predicted if its metal-insulator transition is a consequence of a hexadecapole order. In non-resonant superlattice Bragg scattering, hexadecapole contribution may also be identified because of absence of quadrupole component.Comment: Invited paper to be published in Proc. Hiroshima Workshop on Novel Functional Materials with Multinary Freedoms (Physica B, 2006

Low temperature specific heat of the heavy fermion superconductor PrOs4_4Sb12_{12}

We report the magnetic field dependence of the low temperature specific heat of single crystals of the first Pr-based heavy fermion superconductor PrOs$_4$Sb$_{12}$. The low temperature specific heat and the magnetic phase diagram inferred from specific heat, resistivity and magnetisation provide compelling evidence of a doublet ground state and hence superconductivity mediated by quadrupolar fluctuations. This establishes PrOs$_4$Sb$_{12}$ as a very strong contender of superconductive pairing that is neither electron-phonon nor magnetically mediated.Comment: 4 pages, 4 figure

High magnetic field phase diagram of PrOs4Sb12

The magnetic phase diagram of PrOs$_4$Sb$_{12}$ has been investigated by specific heat measurements between 8 and 32 T. A new Schottky anomaly due to excitations between two lowest crystalline-electric-field (CEF) singlets, has been found for both $H \parallel (100)$ and $H \parallel (110)$ above the field where the field-induced ordered phase (FIOP) is suppressed. The constructed $H-T$ phase diagram shows weak magnetic anisotropy and implies a crossing of the two CEF levels at about 8 - 9 T for both field directions. These results provide an unambiguous evidence for the $\Gamma_1$ singlet being the CEF ground state and suggest the level crossing (involving lowest CEF levels) as the driving mechanism of FIOP.Comment: Submitted to Phys. Rev. Let

Theory of Crystalline Electric Field and Kondo Effect in Pr Skutterudites

Possible Kondo effect in Pr skutterudite is studied with attention to characteristic features of low-lying crystalline electric field (CEF) levels and the conduction band. A mechanism for the small CEF splitting between a singlet and a triplet is proposed as combination of the point-charge interaction and hybridization of 4f with ligand p states. Provided 4f^3 configurations dominate over 4f^1 as intermediate states, p-f hybridization favors the triplet, while point-charge interaction favors the singlet. For realistic parameters for hybridization as well as 4f^1 and 4f^3 levels, these singlet and triplet can form a nearly degenerate pseudo-quartet. It is found that one of two spin 1/2 objects composing the pseudo-quartet has a ferromagnetic exchange, while the other has an antiferromagnetic exchange with conduction electrons. The magnitude of each effective exchange depends strongly on a parameter characterizing the triplet wave function under the T_h symmetry. It is argued that differences of this parameter among Pr skutterdudites are responsible for the apparent diversity of their physical properties. Numerical renormalization group is used to derive the renormalization flows going toward singlet, doublet, triplet or quaret according to the CEF splitting and exchange interactions.Comment: 19 pages, 6 figures, to be published in Special Invited Section (Kondo Effect) of Journal of Physical Society of Japa

Theory of Metal-Insulator Transition in PrRu4P12 and PrFe4P12

All symmetry allowed couplings between the 4f^2-electron ground state doublet of trivalent praseodymium in PrRu4P12 and PrFe4P12 and displacements of the phosphorus, iron or ruthenium ions are considered. Two types of displacements can change the crystal lattice from body-centred cubic to simple orthorhombic or to simple cubic. The first type lowers the point group symmetry from tetrahedral to orthorhombic, while the second type leaves it unchanged, with corresponding space group reductions Im3 --> Pmmm and Im3 --> Pm3 respectively. In former case, the lower point-group symmetry splits the degeneracy of the 4f^2 doublet into states with opposite quadrupole moment, which then leads to anti-quadrupolar ordering, as in PrFe4P12. Either kind of displacement may conspire with nesting of the Fermi surface to cause the metal-insulator or partial metal-insulator transition observed in PrFe4P12 and PrRu4P12. We investigate this scenario using band-structure calculations, and it is found that displacements of the phosphorus ions in PrRu4P12 (with space group reduction Im3 --> Pm3) open a gap everywhere on the Fermi surface.Comment: 6 page

Formation Mechanism of Hybridization Gap in Kondo Insulators based on a Realistic Band Model and Application to YbB12_{12}

A new LDA+U band calculation is performed on the Kondo insulator material YbB$_{12}$ and an energy gap of about 0.001Ryd is obtained. Based on this, a simple tight-binding model with 5d$\epsilon$ and 4f $\Gamma_8$ orbitals on Yb atoms and the nearest neighbor $\sigma$-bonds between them is constructed with a good agreement to the above the LDA+U calculation near the gap. The density of states is also calculated and the shape is found to be very asymmetric with respect to the gap. A formation mechanism of the gap is clarified for the first time in a realistic situation with the orbital degeneracies in both conduction bands and the f states. This model can be a useful starting point for incorporating the strong correlation effect, and for understanding all the thermal, thermoelectric, transport and magnetic properties of YbB$_{12}$.Comment: 15 pages, 15 figures, to appear in J. Phys. Soc. Jpn. Vol. 72 No. 5 (2003