Spin- and charge-density-wave orders in La1.87Sr0.13Cu0.99Fe0.01O4

We have performed elastic neutron-scattering measurements on La_1.87Sr_0.13Cu_0.99Fe_0.01O₄ to study the magnetic impurity effects on the stripe correlations in high-T_c cuprates. Both charge-density-wave (CDW) and spin-density-wave (SDW) orders are observed in the low-temperature-orthorhombic (LTO) phase for the first time. With decreasing the temperature, CDW order first appears at followed by the SDW order at lower temperature of . The incommensurability for the CDW order (ε) was found to be 0.224±0.002 r.l.u., which is approximately twice of that for SDW order (δ) of 0.115±0.003 r.l.u. Both ordering sequence and relation of ε≈2δ are the same for SDW and CDW orders observed in the low-temperature-tetragonal (LTT) phase of La_1.60-xNd_0.4Sr_xCuO₄ (LNSCO), suggesting that the similar stripe correlations exist in the cuprate oxides, irrespective of crystal structure.     

Structural studies of rhodium doped Sr2RuO4

The influence of Rh doping on the structure of Sr₂RuO₄ has been investigated using neutron powder diffraction methods. The metallic Ru rich compounds adopt a regular K₂NiF₄-type structure, space group I4/mmm, with Ru-O-Ru bond angles of 180°. The structures of the nonmetallic Rh rich compounds crystallise in space group I4/acd and are characterised by tilting of the MO₆ octahedra reducing the Ru-O-Ru angle to about 160°. Irrespective of Rh content the MO₆ polyhedra are not regular octahedra but are elongated along the c direction. The temperature dependence of the structure of Sr₂Ru_0.9Rh_0.1O₄ was investigated and revealed this elongation to be weakly temperature dependent.     

Phase diagram for stripes in YBa2Cu3O6+x superconductors

Neutron scattering has been used to measure the charge and spin structure in the YBa₂Cu₃O_6+x superconductors. Incommensurate static charge ordering is found at low doping levels while only charge fluctuations are found at higher doping. The spin structure is complex with both a commensurate resonance and incommensurate structure observed at low temperatures. The scattering results are used to construct a phase diagram for stripes in the YBa₂Cu₃O_6+x system.     

Magnetic properties and magnetic structures of Sr3−xCaxRu2O7

We have measured magnetization curves and powder neutron diffraction of double-layered Ruddlesden-Popper type ruthenate Sr_3−xCa_xRu₂O₇ (x=1.5, 2.0 and 3.0). The field dependence of the magnetization revealed that the transition field of metamagnetic transition along the b-axis shifted to lower fields and that the transition became broad with increasing Sr content. The slope of the magnetization curve also increased with increasing Sr content below the metamagnetic transition. These results indicate that an itinerant component is partly introduced by the Sr substitution. From the magnetic reflection, on cooling below T_N, an additional reflection was observed at (0 0 1) for each x, and the amplitude increased with decreasing temperature. The observed diffraction patterns are very similar to those of Ca₃Ru₂O₇. We conclude that the magnetic structure of the antiferromagnetic ordered phase is basically the same structure with that of Ca₃Ru₂O₇.     

Magnetic and optical study of NaCrO2

Magnetic and optical measurements in the layer compound NaCrO₂ are reported. This compound is antiferromagnetic with T_n = 46±2 K and θ = ?400±30 K. Broad antiferromagnetic resonances are observed which cannot be interpreted on any simple model. Optical absorption data are consistent with the appearance of antiferromagnetism. Non-intrinsic fluorescence has also been observed.     

Neutron and X-ray diffraction studies on the Tb2Ni3Si5 single crystal

Neutron and X-ray diffraction studies on the Tb₂Ni₃Si₅ single crystal have been done to investigate its crystal modulation and magnetic properties. The modulated single crystal is constructed by the TbNiSi₂ (CeNiSi₂-type Cmcm) and the Tb₂Ni₃Si₅ (U₂Co₃Si₅-type Ibam) lattices. The relationship between the two lattices is described as direction of the b₁₁₂-axis coincides with the a₂₃₅-axis. The crystal modulation gives significant effects on magnetism. Each of the two lattices takes complex antiferromagnetism with multiplex propagation vectors.     

A variable temperature structural study of the Jahn-Teller distortion in Ba2CuUO6

The structure of the ordered double perovskite Ba₂CuUO₆ has been investigated between room temperature and 800 °C using synchrotron X-ray powder diffraction. At room temperature Ba₂CuUO₆ is tetragonal, space group I4/m, a=8.82331(13) c=8.82330(13) Å, the structure being characterized by a large Jahn-Teller distortion of the CuO₆ octahedra and small out-of-phase tilts of the BO₆ octahedra. This Jahn-Teller distortion is also evident in the UV-Vis spectra. Analysis of the spontaneous tetragonal strain reveals a continuous ferroelastic phase transition near 420 °C. This appears to be related to the loss of the tilts whilst maintaining the Jahn-Teller distortion, so that the high temperature structure is in space group I4/mmm.     

Crystal and magnetic structures of Y2CrS4

Chromium(II) sulfide, Y₂CrS₄, prepared by a solid-state reaction of Y₂S₃ and CrS, showed an antiferromagnetic transition at 65 K. The neutron diffraction patterns at 10 and 90 K were both well refined with the space group Pca2₁. At 90 K, cell parameters were a=12.5518(13) Å, b=7.5245(8) Å, and c=12.4918(13) Å. At 10 K, magnetic peaks were observed, which could be indexed on the same unit cell. Magnetic moments of chromium ions were parallel to the b-axis and antiferromagnetically ordered in each set of the 4a sites.     

The effect of doping LiMn2O4 spinel on its use as a cathode in Li-ion batteries: neutron diffraction and electrochemical studies

A series of compounds Li_1+yMn_2−xM′_xO₄ (x≤0.1;y≤0.02), have been synthesised by doping the parent LiMn₂O₄ spinel with various metal ions of variable oxidation state. Powder neutron diffraction data has been collected on these samples alongside a series of electrochemical experiments in order to elucidate the relationship between structure on the performance of these systems as Li batteries. Doping the LiMn₂O₄ spinel with a small amount of metal ions has a remarkable effect on the electrochemical properties. Whereas the capacity of the spinels doped with trivalent ions is much greater, the cycling fading properties are much enhanced with using divalent ions as dopants. The underlying reasons for this are discussed, and it is suggested that the occupancy of the tetrahedral site with divalent ions to form a more compact structure offers an improved structural stability to support greater Li insertion/extraction, but which ultimately prevents the free movement of Li also sited on the tetrahedral site of the lattice.     

The stability of Na-doped Bi2(NbCr)O7−x pyrochlores: The non-existence of “(BiNa)(NbCr)O6”

We show that the pyrochlore described as “(BiNa)(NbCr)O₆” is in fact a non-stoichiometric pyrochlore with an approximate composition of (Bi_1.33Na_0.67)(Nb_1.33Cr_0.67)O_7−x. Refinement of this structure using constant wavelength powder neutron diffraction data reveals the presence of vacancies in the anion sites coupled with displacive disorder of the Bi and Na cations. This is necessary to achieve a satisfactory bonding arrangement for both the Bi and Na cations that occupy the pyrochlore A-type sites. Attempts to prepare other pyrochlores in the series Bi_2−xNa_x(NbCr)O₆ were unsuccessful and it appears that the pyrochlore is only stable only over a very narrow composition range. The structure of the pure Bi pyrochlore Bi₂(NbCr)O₇ is also described.     

CO2 motion in carbon dioxide deuterohydrate determined by applying maximum entropy method to neutron powder diffraction data

Crystal structures of carbon dioxide deuterohydrate were studied by neutron powder diffraction at temperatures from 10 to 200 K. Maps of scattering length density distribution were obtained using a maximum entropy method (MEM), which clarified the motion of CO₂ molecules in the hydrate. In small cages, the carbon atom of the CO₂ molecule is at the center of the cage, and the oxygen atoms of CO₂ revolve freely around the carbon atom. In large cages, the carbon atom also is at the center of the cage, but the oxygen atoms tend to revolve around the carbon atom along the plane parallel to the hexagonal facets of the cage.     

Temperature evolution of the local structure in relaxor ferroelectric Ba(Ti0.7Zr0.3)O3 studied using neutron total scattering analysis

We performed neutron total scattering measurements on relaxor ferroelectric Ba(Ti_0.7Zr_0.3)O₃ from T=350 to 50 K. Using reverse Monte Carlo modeling on the total scattering data in k-space as well as in real space, we show that the off-centering of Ti ion is the source of local polarization at all temperatures. In addition, we estimated that Ti displacement is toward the 〈111〉 direction with a magnitude of about ∼0.11 Å. We also present an evolution of Ti-O bond length distribution across the maximum permittivity temperature, which suggests a freezing of local polarization with decreasing temperature.     

Magnetic structure of TmCu2Ge2

TmCu₂Ge₂ compound crystallizes in the tetragonal ThCr₂Si₂-type crystal structure. The neutron diffraction reveals the presence of an incommensurate antiferromagnetic order below T_N=2.5 K. The Tm magnetic moment of 5.0(1) μ_B at 0.47 K is parallel to the c-axis. The order is described by the propagation vector k=[k_x, k_x, 0], where k_x=0.117(3). The increase of the values of the components k_x near the Néel temperature is observed.     

Nature of the quantum spin correlations through the superconducting-normal phase transition in electron-doped superconducting Pr0.88LaCe0.12CuO4

We use neutron scattering and specific heat measurements to relate the response of the spin fluctuations and static antiferromagnetic (AF) order to the superconductivity in the electron-doped high-transition-temperature superconductor, Pr_.88LaCe_.12CuO_4−δ (PLCCO) (T_c=24 K), as the system is tuned via a magnetic field applied beyond the upper critical field (H_c2) and driven into the normal state. The strength of the collective magnetic excitation commonly termed “resonance” decreases smoothly with increasing field and vanishes in the normal state, paralleling the behavior of the superconducting condensation energy. The suppression of superconductivity is accompanied by a smooth reduction in the very low energy spin fluctuations, and the concomitant emergence of static AF order. Our results suggest an intimate connection between the resonance and the superconducting condensation energy.     

Magnetodielectric coupling in Ca3Co2O6 triangular Ising lattice

Geometric frustration in magnetic systems is a key ingredient for magnetodielectric coupling. Ca₃Co₂O₆ system is a model of triangular Ising lattice and presenting exotic magnetic properties. With a partially disordered antiferromagnetic ground state and two steps in magnetisation to a ferrimagnetic state and to a ferromagnetic state, this oxide is a good system for studying the effect of frustration in magnetodielectric coupling. Dielectric constant measurements of single crystals of Ca₃Co₂O₆ have been done showing the sensitivity of this technique to frustration.     

A high temperature powder neutron diffraction structural study of the apatite-type oxide ion conductor, La9.67Si6O26.5

High-resolution neutron powder diffraction studies of the oxide ion conductor La_9.67Si₆O_26.5 are reported for temperatures ranging between 25 and 900 °C. The best fit to the data was obtained for space group P6₃ and there was no evidence for any change in symmetry over the temperature range studied. Interstitial oxide ions are identified lying in sites similar to those predicted by previous computer modelling studies, and in agreement with structural studies on related materials. Furthermore, occupancy of these sites is enhanced by Frenkel-type disorder from neighbouring positions. The results thus add further weight to the interpretation that, in these apatite-type systems, the silicate substructure is important for the accommodation of interstitial oxide ions and their migration.     

Spin fluctuation spectrum of electron-doped high-Tc superconductors

The magnetic excitation spectrum of electron-doped copper oxide superconductors is calculated using the Hubbard model on a square lattice. First, the on-site repulsion is treated with the random phase approximation. The spectrum of electron-doped systems in the superconducting state is compared with that of hole-doped systems, and the relationship between the frequency at which a peak grows in the spectrum and the superconducting energy gap at a hot spot (an intersection of the Fermi surface and the magnetic Brillouin zone boundary) is investigated. As compared with the hole-doped systems, the resonance condition is difficult to be satisfied in the electron-doped systems because of the small density of states around the hot spot. Moreover, the correlation effect in the Hubbard model is treated by the fluctuation-exchange approximation (FLEX), and the spin fluctuation spectra in the superconducting state in a wide region of the wave vector and frequency are calculated. We have found that the intensity of the magnetic spectrum at incommensurate wave vectors obtained with the FLEX is considerably weaker than that obtained with the RPA. The validity of the Fermi-liquid approach is also discussed.     

Direct evidence for the magnetic ordering of Nd ions in NdMn2Si2 and NdMn2Ge2 by high resolution inelastic neutron scattering

We have investigated the low energy nuclear spin excitations in NdMn₂Si₂ and NdMn₂Ge₂ by high resolution inelastic neutron scattering. Previous neutron diffraction investigations gave ambiguous results about Nd magnetic ordering at low temperatures. The present element-specific technique gave direct evidence for the magnetic ordering of Nd ions. We found considerable difference in the process of the Nd magnetic ordering at low temperature in NdMn₂Si₂ and NdMn₂Ge₂. Our results are consistent with those of magnetization and recent neutron diffraction measurements.