Magneto-optical Kerr effect in Eu1−xCaxB6Eu_{1-x}Ca_{x}B_{6}

We have measured the magneto-optical Kerr rotation of ferromagnetic $Eu_{1-x}Ca_{x}B_{6}$ with x=0.2 and 0.4, as well as of $YbB_{6}$ serving as the non-magnetic reference material. As previously for $EuB_{6}$, we could identify a feature at 1 $eV$ in the Kerr response which is related with electronic transitions involving the localized 4f electron states. The absence of this feature in the data for $YbB_{6}$ confirms the relevance of the partially occupied 4f states in shaping the magneto-optical features of $Eu$-based hexaborides. Disorder by $Ca$-doping broadens the itinerant charge carrier contribution to the magneto-optical spectra

Antiferromagnetic ordering in a 90 K copper oxide superconductor

Using elastic neutron scattering, we evidence a commensurate antiferromagnetic Cu(2) order (AF) in the superconducting (SC) high-$\rm T_c$ cuprate $\rm YBa_2(Cu_{1-y}Co_y)_3O_{7+\delta}$ (y=0.013, $\rm T_c$=93 K). As in the Co-free system, the spin excitation spectrum is dominated by a magnetic resonance peak at 41 meV but with a reduced spectral weight. The substitution of Co thus leads to a state where AF and SC cohabit showing that the CuO$_2$ plane is a highly antiferromagnetically polarizable medium even for a sample where T$_c$ remains optimum.Comment: 3 figure

High voltage sulphate cathodes Li₂M(SO₄)₂ (M = Fe, Mn, Co):Atomic-scale studies of lithium diffusion, surfaces and voltage trends

International audienceThe search for high voltage cathodes for lithium-ion batteries has led to recent interest in the monoclinic Li 2 Fe(SO 4) 2 material which has a voltage of 3.83 V vs. lithium, the highest recorded for a fluorine-free iron-based compound. Here we investigate the defect, surface and lithium migration properties of the Li 2 M(SO 4) 2 (M ¼ Fe, Mn, Co) materials using combined atomistic modelling and density functional theory (DFT) techniques. All intrinsic defect types including Li/M antisite disorder are found to be of high energy, suggesting insignificant concentrations. Low activation energies are found for lithium migration along the a-axis channels giving rise to long-range 1D diffusion, which are supported by molecular dynamics (MD) simulations. For the crystal morphology a significant surface area is exposed to these 1D diffusion channels, which would allow facile Li insertion and extraction. Using DFT simulations we reproduce the high voltage of the Li 2 Fe(SO 4) 2 material in accord with electrochemical data and also examine local structural distortions on lithium extraction

Origin of the photoemission final-state effects in Bi2Sr2CaCu2O8 by very-low-energy electron diffraction

Very-low-energy electron diffraction with a support of full-potential band calculations is used to achieve the energy positions, K// dispersions, lifetimes and Fourier compositions of the photoemission final states in Bi2Sr2CaCu2O8 at low excitation energies. Highly structured final states explain the dramatic matrix element effects in photoemission. Intense c(2x2) diffraction reveals a significant extrinsic contribution to the shadow Fermi surface. The final-state diffraction effects can be utilized to tune the photoemission experiment on specific valence states or Fermi surface replicas.Comment: 4 pages, 3 Postscript figures, submitted to Phys. Rev. Lett; major revision

C-axis lattice dynamics in Bi-based cuprate superconductors

We present results of a systematic study of the c axis lattice dynamics in single layer Bi2Sr2CuO6 (Bi2201), bilayer Bi2Sr2CaCu2O8 (Bi2212) and trilayer Bi2Sr2Ca2Cu3O10 (Bi2223) cuprate superconductors. Our study is based on both experimental data obtained by spectral ellipsometry on single crystals and theoretical calculations. The calculations are carried out within the framework of a classical shell model, which includes long-range Coulomb interactions and short-range interactions of the Buckingham form in a system of polarizable ions. Using the same set of the shell model parameters for Bi2201, Bi2212 and Bi2223, we calculate the frequencies of the Brillouin-zone center phonon modes of A2u symmetry and suggest the phonon mode eigenvector patterns. We achieve good agreement between the calculated A2u eigenfrequencies and the experimental values of the c axis TO phonon frequencies which allows us to make a reliable phonon mode assignment for all three Bi-based cuprate superconductors. We also present the results of our shell model calculations for the Gamma-point A1g symmetry modes in Bi2201, Bi2212 and Bi2223 and suggest an assignment that is based on the published experimental Raman spectra. The superconductivity-induced phonon anomalies recently observed in the c axis infrared and resonant Raman scattering spectra in trilayer Bi2223 are consistently explained with the suggested assignment.Comment: 29 pages, 13 figure

Magnetic ordering in Sr2RuO4 induced by nonmagnetic impurities

We report unusual effects of nonmagnetic impurities on the spin-triplet superconductor Sr2RuO4. The substitution of nonmagnetic Ti4+ for Ru4+ induces localized-moment magnetism characterized by unexpected Ising anisotropy with the easy axis along the interlayer c direction. Furthermore, for x(Ti) > 0.03 magnetic ordering occurs in the metallic state with the remnant magnetization along the c-axis. We argue that the localized moments are induced in the Ru4+ and/or oxygen ions surrounding Ti4+ and that the ordering is due to their interaction mediated by itinerant Ru-4d electrons with strong spin fluctuations.Comment: 5 pages, 4figure

Electronic transport in EuB6_6

EuB$_6$ is a magnetic semiconductor in which defects introduce charge carriers into the conduction band with the Fermi energy varying with temperature and magnetic field. We present experimental and theoretical work on the electronic magnetotransport in single-crystalline EuB$_6$. Magnetization, magnetoresistance and Hall effect data were recorded at temperatures between 2 and 300 K and in magnetic fields up to 5.5 T. The negative magnetoresistance is well reproduced by a model in which the spin disorder scattering is reduced by the applied magnetic field. The Hall effect can be separated into an ordinary and an anomalous part. At 20 K the latter accounts for half of the observed Hall voltage, and its importance decreases rapidly with increasing temperature. As for Gd and its compounds, where the rare-earth ion adopts the same Hund's rule ground state as Eu$^{2+}$ in EuB$_{6}$, the standard antisymmetric scattering mechanisms underestimate the $size$ of this contribution by several orders of magnitude, while reproducing its $shape$ almost perfectly. Well below the bulk ferromagnetic ordering at $T_C$ = 12.5 K, a two-band model successfully describes the magnetotransport. Our description is consistent with published de Haas van Alphen, optical reflectivity, angular-resolved photoemission, and soft X-ray emission as well as absorption data, but requires a new interpretation for the gap feature deduced from the latter two experiments.Comment: 35 pages, 12 figures, submitted to PR

Crystal chemistry search of multiferroics with the stereochemically active lone pair

On the basis of our previous studies of magnetoelectric ordering of BiFeO3, TbMnO3, TbMn2O5 and BiMn2O5 we formulate the crystal chemistry criteria for the search of multiferroics and reveal potential multiferroics Pb2Cu(OH)4Cl2, Pb5Cr3F19, Mn(SeO3){\dot}H2O and BiPbSr2MnO6 each containing the ion with a lone pair.Comment: 4 pages, 8 figures,submitted to J Supercond Nov Mag