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The neutron pair distribution function (PDF) of Rb[sub 3]C[sub 60] at 10 K reveals local deviations from the Stephens model of merohedral disorder. The experimental PDF in the 3--7 A range is best represented by a greater fraction of near-neighbor pairs with opposite standard orientations than would be expected from purely random decoration, indicating the presence of [ital short[minus]range] antiferromagnetic'' orientational correlations.

International audience; In situ vitrification in a synchrotron beam during cooling of a Pd(42.5)Cu(30)Ni(7.5)P(20) melt allowed continuous acquisition of X-ray diffraction spectra in the supercooled liquid region between the liquidus temperature T(I) and the glass transition temperature T(g) for the first time in a metallic liquid alloy. These and subsequent acquisitions on reheating allowed determination of the structural changes in the supercooled and glassy states using the real space atomic pair distribution function PDF(R) and radial distribution function RDF(R). The nearest neighbor (NN) distance in the first coordination shell has a low R peak (pre-peak) that appears and increases on cooling from the liquidus temperature to the glass transition temperature in the supercooled liquid region. In this temperature range reversible expansion of the NN distances in the first coordination shell is observed. The slope of the expansion changes discontinuously at the glass transition. This behavior is explained by the theory of local topological fluctuations. (C) 2010 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.

We use inelastic neutron scattering to show that the spin waves in the iron chalcogenide Fe$_{1.05}$Te display novel dispersion clearly different from those in the related iron pnictide systems. By fitting the spin waves to a Heisenberg Hamiltonian, we extract magnetic exchange couplings that are dramatically different from both predictions by density functional calculations and measurements on the iron pnictide CaFe$_2$As$_2$. While the nearest-neighbor exchange couplings in CaFe$_2$As$_2$ and Fe$_{1.05}$Te are quite different, their next-nearest-neighbor exchange couplings are similar. These results suggest that superconductivity in the pnictides and chalcogenides share a common magnetic origin that is intimately associated with the next-nearest-neighbor magnetic coupling between the irons., Comment: Includes supplementary information as appendices

We use polarized inelastic neutron scattering to show that the neutron spin resonance below T-c in superconducting BaFe1.9Ni0.1As2 (T-c= 20 K) is purely magnetic in origin. Our analysis further reveals that the resonance peak near 7 meV only occurs for the planar response. This challenges the common perception that the spin resonance in the pnictides is an isotropic triplet excited state of the singlet Cooper pairs, as our results imply that only the S-001= +/- 1 components of the triplet are involved.

The ^(57)Fe-specific phonon density of states (DOS) of Ba(Fe_(1−x)Co_x)_2As_2 single crystals (x=0.0,0.08) was measured at cryogenic temperatures and at high pressures with nuclear-resonant inelastic x-ray scattering. Measurements were conducted for two different orientations of the single crystals, yielding the orientation-projected ^(57)Fe-phonon density of states for phonon polarizations in-plane and out-of-plane with respect to the basal plane of the crystal structure. In the tetragonal phase at 300 K, a clear stiffening was observed upon doping with Co. Increasing pressure to 4 GPa caused a marked increase of phonon frequencies, with the doped material still stiffer than the parent compound. Upon cooling, both the doped and undoped samples showed a stiffening and the parent compound exhibited a discontinuity across the magnetic and structural phase transitions. These findings are generally compatible with the changes in volume of the system upon doping, increasing pressure, or increasing temperature, but an extra softening of high-energy modes occurs with increasing temperature. First-principles computations of the phonon DOS were performed and showed an overall agreement with the experimental results, but underestimate the Grüneisen parameter. This discrepancy is explained in terms of a magnetic Grüneisen parameter, causing an extra phonon stiffening as magnetism is suppressed under pressure.

We consider strong spin-lattice and spin-phonon coupling in iron pnictides and discuss its implications on superconductivity. Strong magneto-volume effect in iron compounds has long been known as the Invar effect. Fe pnictides also exhibit this effect, reflected in particular on the dependence of the magnetic moment on the atomic volume of Fe defined by the positions of the nearest neighbor atoms. Through the phenomenological Landau theory, developed on the basis of the calculations by the density functional theory (DFT) and the experimental results, we quantify the strength of the spin-lattice interaction as it relates to the Stoner criterion for the onset of magnetism. We suggest that the coupling between electrons and phonons through the spin channel may be sufficiently strong to be an important part of the superconductivity mechanism in Fe pnictides.

The nature of the magnetic state of LiNiO2 has been controversial. In this compound Ni spins (S = 1/2) form a triangular lattice with the possibility of magnetic frustration, but the exact state of spin correlation has not yet been known in spite of the extensive research work. A factor that complicates understanding of the magnetic state is the orbital state of Ni3+ which is a Jahn-Teller (JT) ion. While there is no signature of long-range Jahn-Teller distortion, local JT distortion has been suspected. We have performed neutron diffraction and atomic pair-density function analyses up to unprecedented large distances to discover a number of unusual features, such as anomalous peak broadening, local JT distortion, sharp oxygen-oxygen distance correlations, and inverted temperature dependence of medium range correlation. These observations are best explained by local orbital ordering of Ni3+ ions into three sublattices. This orbital ordering, however, cannot develop into long-range order because of the strain field it generates, and domains of about 10 nm in size are formed. Domains are susceptible to random pinning by impurities (site disorder) resulting in the loss of structural long-range order. We suggest that this local orbital ordering is the basis for the complex magnetic properties observed in this compound.