Crystal growth, structural studies and superconducting properties of beta-pyrochlore KOs2O6

Single crystals of KOs2O6 have been grown in a sealed quartz ampoule. Detailed single crystal X-ray diffraction studies at room temperature show Bragg peaks that violate Fd-3m symmetry. With a comparative structure refinement the structure is identified as non-centrosymmetric (F-43m). Compared to the ideal beta-pyrochlore lattice (Fd-3m), both Os tetrahedral and O octahedral network exhibit breathing mode like volume changes accompanied by strong anisotropic character of the K channels. The crystals show metallic conductivity and a sharp transition to the superconducting state at Tc = 9.65 K. Superconducting properties have been investigated by magnetization measurements performed in a temperature range from 2 to 12 K and in magnetic fields from 0 to 60 kOe. The temperature dependence of the upper critical field Hc2(T) has been determined and the initial slope (dHc2/dT)Tc = -33.3 kOe/K has been obtained near Tc. The upper critical field at zero temperature was estimated to be Hc2(0) \cong 230 kOe, which is a value close to the Pauli paramagnetic limiting field Hp(0)\cong 250 kOe. Then, the Ginzburg-Landau (GL) coherence length xi GL(0) \approx 3.8 nm was calculated, and the Maki parameter alpha \approx \sqrt 2 was obtained, suggesting the possibility that KOs2O6 might behave unconventionally at low temperatures and high magnetic fields

Phonon Dynamics and Multipolar Isomorphic Transition in beta-pyrochlore KOs2O6

We investigate with a microscopic model anharmonic K-cation oscillation observed by neutron experiments in beta-pyrochlore superconductor KOs2O6, which also shows a mysterious first-order structural transition at Tp=7.5 K. We have identified a set of microscopic model parameters that successfully reproduce the observed temperature dependence and the superconducting transition temperature. Considering changes in the parameters at Tp, we can explain puzzling experimental results about electron-phonon coupling and neutron data. Our analysis demonstrates that the first-order transition is multipolar transition driven by the octupolar component of K-cation oscillations. The octupole moment does not change the symmetry and is characteristic to noncentrosymmetric K-cation potential.Comment: 5 pages, 4 figures, submitted to J. Phys. Soc. Jp

Magnetic, thermodynamic, and electrical transport properties of the noncentrosymmetric B20 germanides MnGe and CoGe

We present magnetization, specific heat, resistivity, and Hall effect measurements on the cubic B20 phase of MnGe and CoGe and compare to measurements of isostructural FeGe and electronic structure calculations. In MnGe, we observe a transition to a magnetic state at $T_c=275$ K as identified by a sharp peak in the ac magnetic susceptibility, as well as second phase transition at lower temperature that becomes apparent only at finite magnetic field. We discover two phase transitions in the specific heat at temperatures much below the Curie temperature one of which we associate with changes to the magnetic structure. A magnetic field reduces the temperature of this transition which corresponds closely to the sharp peak observed in the ac susceptibility at fields above 5 kOe. The second of these transitions is not affected by the application of field and has no signature in the magnetic properties or our crystal structure parameters. Transport measurements indicate that MnGe is metal with a negative magnetoresistance similar to that seen in isostructural FeGe and MnSi. Hall effect measurements reveal a carrier concentration of about 0.5 carriers per formula unit also similar to that found in FeGe and MnSi. CoGe is shown to be a low carrier density metal with a very small, nearly temperature independent diamagnetic susceptibility.Comment: 16 pages 23 figure

Local spin and charge properties of beta-Ag0.33V2O5 studied by 51V NMR

Local spin and charge properties were studied on beta-Ag0.33V2O5, a pressure-induced superconductor, at ambient pressure using 51V-NMR and zero-field-resonance (ZFR) techniques. Three inequivalent Vi sites (i=1, 2, and 3) were identified from 51V-NMR spectra and the principal axes of the electric-field-gradient (EFG) tensor were determined in a metallic phase and the following charge-ordering phase. We found from the EFG analysis that the V1 sites are in a similar local environment to the V3 sites. This was also observed in ZFR spectra as pairs of signals closely located with each other. These results are well explained by a charge-sharing model where a 3d1 electron is shared within a rung in both V1-V3 and V2-V2 two-leg ladders.Comment: 12pages, 16figure

A Possible Phase Transition in beta-pyrochlore Compounds

We investigate a lattice of interacting anharmonic oscillators by using a mean field theory and exact diagonalization. We construct an effective five-state hopping model with intersite repulsions as a model for beta-pyrochlore AOs_2O_6(A=K, Rb or Cs). We obtain the first order phase transition line from large to small oscillation amplitude phases as temperature decreases. We also discuss the possibility of a phase with local electric polarizations. Our theory can explain the origin of the mysterious first order transition in KOs_2O_6.Comment: 4 pages, 4 figures, submitted to J. Phys. Soc. Jp

Structural Order Parameter in the Pyrochlore Superconductor Cd2Re2O7

It is shown that both structural phase transitions in Cd2Re2O7, which occur at T_{s1}=200 K and T_{s2}=120 K, are due to an instability of the Re tetrahedral network with respect to the same doubly degenerate long-wavelength phonon mode. The primary structural order parameter transforms according to the irreducible representation E_u of the point group O_h. We argue that the transition at T_{s1} may be of second order, in accordance with experimental data. We obtain the phase diagram in the space of phenomenological parameters and propose a thermodynamic path that Cd2Re2O7 follows upon cooling. Couplings of the itinerant electronic system and localized spin states in pyrochlores and spinels to atomic displacements are discussed.Comment: 5 pages. Submitted to J. Phys. Soc. Jpn. Best quality figures are available at http://www.physics.mun.ca/~isergien/pubs.htm

Mean-field Study of Charge, Spin, and Orbital Orderings in Triangular-lattice Compounds ANiO2 (A=Na, Li, Ag)

We present our theoretical results on the ground states in layered triangular-lattice compounds ANiO2 (A=Na, Li, Ag). To describe the interplay between charge, spin, orbital, and lattice degrees of freedom in these materials, we study a doubly-degenerate Hubbard model with electron-phonon couplings by the Hartree-Fock approximation combined with the adiabatic approximation. In a weakly-correlated region, we find a metallic state accompanied by \sqroot3x\sqroot3 charge ordering. On the other hand, we obtain an insulating phase with spin-ferro and orbital-ferro ordering in a wide range from intermediate to strong correlation. These phases share many characteristics with the low-temperature states of AgNiO2 and NaNiO2, respectively. The charge-ordered metallic phase is stabilized by a compromise between Coulomb repulsions and effective attractive interactions originating from the breathing-type electronphonon coupling as well as the Hund's-rule coupling. The spin-orbital-ordered insulating phase is stabilized by the cooperative effect of electron correlations and the Jahn-Teller coupling, while the Hund's-rule coupling also plays a role in the competition with other orbital-ordered phases. The results suggest a unified way of understanding a variety of low-temperature phases in ANiO2. We also discuss a keen competition among different spin-orbital-ordered phases in relation to a puzzling behavior observed in LiNiO2

Plaquette Ordering in SU(4) Antiferromagnets

We use fermion mean field theory to study possible plaquette ordering in the antiferromagnetic SU(4) Heisenberg model. We find the ground state for both the square and triangular lattices to be the disconnected plaquette state. Our mean field theory gives a first order transition for plaquette ordering for the triangular lattice. Our results suggest a large number of low lying states.Comment: 16 pages, 5 figure