Anisotropic susceptibility of the geometrically frustrated spin-chain compound Ca3Co2O6

Ca3Co2O6 is a system exhibiting a series of fascinating properties, including magnetization plateaus and remarkably slow dynamics at low-T. These properties are intimately related to the geometrical frustration, which results from a particular combination of features: (i) the chains are arranged on a triangular lattice; (ii) there is a large uniaxial anisotropy; (iii) the intrachain and interchain couplings are ferromagnetic and antiferromagnetic, respectively. The uniaxial anisotropy is thus an issue of crucial importance for the analysis of the physical properties of Ca3Co2O6. However, it turns out that no precise investigation of this magnetic anisotropy has been performed so far. On the basis of susceptibility data directly recorded on single crystals, the present study reports on quantitative information about the anisotropy of Ca3Co2O6.Comment: 10 pages, 5 figure

Unconventional aspects of electronic transport in delafossite oxides

The electronic transport properties of the delafossite oxides ABO$_2$ are usually understood in terms of two well separated entities, namely, the triangular A$^+$ and (BO$_2$)$^-$ layers. Here we review several cases among this extensive family of materials where the transport depends on the interlayer coupling and displays unconventional properties. We review the doped thermoelectrics based on CuRhO$_2$ and CuCrO$_2$, which show a high-temperature recovery of Fermi-liquid transport exponents, as well as the highly anisotropic metals PdCoO$_2$, PtCoO$_2$ and PdCrO$_2$ where the sheer simplicity of the Fermi surface leads to unconventional transport. We present some of the theoretical tools that have been used to investigate these transport properties and review what can and cannot be learned from the extensive set of electronic structure calculations that have been performed.Comment: 35 pages, 19 figure

Intrinsic effects of substitution and intercalation on thermal transport in two-dimensional TiS2_2 single crystals

The promising thermoelectric material TiS$_2$ can be easily chemically doped and intercalated. We present here studies of single crystals that are intercalated with excess Ti or Co, or substituted with Ta. We demonstrate the intrinsic impact of these dopants on the thermal transport in the absence of grain boundary scattering. We show that Ta doping has the greatest impact on the thermal scattering rate per ion added, leading to a five-fold reduction in the lattice thermal conductivity as compared to stoichiometric single crystals.Comment: 5 pages, 2 figure

Cellular Automata and Kan Extensions

In this paper, we formalize precisely the sense in which the application of a cellular automaton to partial configurations is a natural extension of its local transition function through the categorical notion of Kan extension. In fact, the two possible ways to do such an extension and the ingredients involved in their definition are related through Kan extensions in many ways. These relations provide additional links between computer science and category theory, and also give a new point of view on the famous Curtis-Hedlund theorem of cellular automata from the extended topological point of view provided by category theory. These links also allow to relatively easily generalize concepts pioneered by cellular automata to arbitrary kinds of possibly evolving spaces. No prior knowledge of category theory is assumed

Long-range magnetic order and spin-lattice coupling in the delafossite CuFeO2

The electronic and magnetic properties of the delafossite CuFeO2 are investigated by means of electronic structure calculations. They are performed using density functional theory in the generalized gradient approximation as well as the new full-potential augmented spherical wave method. The calculations reveal three different spin states at the iron sites. Taking into account the correct crystal structure, we find long-range antiferromagnetic ordering in agreement with experiment. Contrasting previous work, our calculations show that non-local exchange interactions lead to a semiconducting ground state.Comment: 5 pages, 5 figures, more information at http:www.physik.uni-augsburg.de/~eyert

Magnetization reversal in mixed ferrite-chromite perovskites with non magnetic cation on the A-site

In this work, we have performed Monte Carlo simulations in a classical model for RFe$_{1-x}$Cr$_x$O$_3$ with R=Y and Lu, comparing the numerical simulations with experiments and mean field calculations. In the analyzed compounds, the antisymmetric exchange or Dzyaloshinskii-Moriya (DM) interaction induced a weak ferromagnetism due to a canting of the antiferromagnetically ordered spins. This model is able to reproduce the magnetization reversal (MR) observed experimentally in a field cooling process for intermediate $x$ values and the dependence with $x$ of the critical temperatures. We also analyzed the conditions for the existence of MR in terms of the strength of DM interactions between Fe$^{3+}$ and Cr$^{3+}$ ions with the x values variations.Comment: 8 pages, 7 figure

Large anisotropic thermal conductivity of intrinsically two-dimensional metallic oxide PdCoO2_2

The highly conductive layered metallic oxide \pdcoo{} is a near-perfect analogue to an alkali metal in two dimensions. It is distinguished from other two-dimensional electron systems where the Fermi surface does not reach the Brillouin zone boundary by a high planar electron density exceeding $10^{15}$ cm$^{-2}$. The simple single-band quasi-2D electronic structure results in strongly anisotropic transport properties and limits the effectiveness of electron-phonon scattering. Measurements on single crystals in the temperature range from 10-300K show that the thermal conductivity is much more weakly anisotropic than the electrical resistivity, as a result of significant phonon heat transport. The in-plane thermoelectric power is linear in temperature at 300\,K and displays a purity-dependent peak around 50K. Given the extreme simplicity of the band-structure, it is possible to identify this peak with phonon drag driven by normal electron-phonon scattering processes.Comment: 3 figure

CuFe2S3 as electrode material for Li-ion batteries

Electrochemical performances of the isocubanite CuFe2S3 tested as electrode material for Li-ion batteries have been investigated. A first discharge capacity of 860 mA h g(-1) shows a conversion process leading to Li2S, copper and iron nanoparticles. Interestingly, a reversible capacity of 560 mA h g(-1) at 1.5 V is demonstrated with good cyclability up to 30 cycles

Structure and electronic properties of the quasi-one-dimensional Ba₂Co₁₋ₓZnₓS₃ series

This work focuses on the structure and physical properties of the solid solution Ba₂Co₁₋ₓZnₓS₃ (0 ≤ x ≤ 1), a family of quasi-one-dimensional sulfides with end members Ba₂CoS₃ and Ba₂ZnS₃. The structure of selected compounds with increasing Zn²⁺ content has been analysed using, neutron diffraction, TEM and EXAFS and the physical properties via magnetic susceptibility and resistivity measurements. The progressive substitution of the non-magnetic Zn²⁺ cation for Co²⁺ rapidly destroys the antiferromagnetic transition present at 46 K in the quasi one-dimensional Ba₂CoS₃, leading to paramagnetic behaviour down to the lowest investigated temperature (5K) for compounds with x > 0.25. For compounds with x ≥ 0.4, a pure CW regime is recovered around 300 K, yielding effective moments consistent with the g factor of the tetrahedrally coordinated Co²⁺ previously determined for Ba₂CoS₃. The Zn²⁺/Co²⁺ substitution also removes the metallic-like behaviour of Ba₂CoS₃ causing an increase in the value of the resistivity with all the Ba₂Co₁₋ₓZnₓS₃ compounds showing semiconducting behaviour. The negative magnetoresistance of Ba₂CoS₃ is improved by the Zn²⁺/Co²⁺ substitution, with values of – 6% for Ba₂Co₀.₇₅Zn₀.₂₅S₃, – 9% for Ba₂Co₀.₅Zn₀.₅S₃ and – 8% for Ba₂Co₀.₂₅Zn₀.₇₅S₃. However, there does not seem to be a correlation between the values of the resistivity and the magnetoresistance and the content of Zn²⁺, leading to the hypothesis that transport properties may be linked more closely to extrinsic properties

The antiferromagnetic insulator Ca3FeRhO6: characterization and electronic structure calculations

We investigate the antiferromagnetic insulating nature of Ca3FeRhO6 both experimentally and theoretically. Susceptibility measurements reveal a Neel temperature T_N = 20 K, and a magnetic moment of 5.3 muB/f. u., while Moessbauer spectroscopy strongly suggests that the Fe ions, located in trigonal prismatic sites, are in a 3+ high spin state. Transport measurements display a simple Arrhenius law, with an activation energy of 0.2 eV. The experimental results are interpreted with LSDA band structure calculations, which confirm the Fe 3+ state, the high-spin/low-spin scenario, the antiferromagnetic ordering, and the value for the activation energy.Comment: 5 pages, 6 figure