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The spin ice compound Dy$_2$Ti$_2$O$_7$ is well-known to realise a three-dimensional Coulomb spin liquid with magnetically charged monopole excitations. Its fate at low temperatures, however, remains an intriguing open question. Based on a low-temperature analysis of the magnetic noise and diffuse neutron scattering under different cooling protocols, combined with extensive numerical modelling, we argue that upon cooling, the spins freeze into what may be termed a `structural magnetic glass', without an a priori need for chemical or structural disorder. Specifically, our model indicates the presence of frustration on two levels, first producing a near-degenerate constrained manifold inside which phase ordering kinetics is in turn frustrated. Our results suggest that spin ice Dy$_2$Ti$_2$O$_7$ provides one prototype of magnetic glass formation specifically, and a setting for the study of kinetically constrained systems more generally., Comment: Paper+Sup. Info

Exotic nuclei are characterized by a number of neutrons (or protons) in excess relative to stable nuclei. Their shell structure, which represents single-particle motion in a nucleus, may vary due to nuclear force and excess neutrons, in a phenomenon called shell evolution. This effect could be counterbalanced by collective modes causing deformations of the nuclear surface. Here, we study the interplay between shell evolution and shape deformation by focusing on the magnetic moment of an isomeric state of the neutron-rich nucleus 75Cu. We measure the magnetic moment using highly spin-controlled rare-isotope beams and achieving large spin alignment via a two-step reaction scheme that incorporates an angular-momentum-selecting nucleon removal. By combining our experiments with numerical simulations of many-fermion correlations, we find that the low-lying states in 75Cu are, to a large extent, of single-particle nature on top of a correlated 74Ni core. We elucidate the crucial role of shell evolution even in the presence of the collective mode, and within the same framework, we consider whether and how the double magicity of the 78Ni nucleus is restored, which is also of keen interest from the perspective of nucleosynthesis in explosive stellar processes., Comment: 10 pages, 4 figures

Even though the viscosity is one of the most fundamental properties of liquids, the connection with the atomic structure of the liquid has proven elusive. By combining inelastic neutron scattering with the electrostatic levitation technique the time-dependent pair-distribution function (i.e. the Van Hove function) has been determined for liquid Zr80Pt20. We show that the decay-time of the first peak of the Van Hove function is directly related to the Maxwell relaxation time of the liquid, which is proportional to the shear viscosity. This result demonstrates that the local dynamics for increasing or decreasing the coordination number of local clusters by one determines the viscosity at high temperature, supporting earlier predictions from molecular dynamics simulations., Comment: Main article: 7 pages, 7 figures

Spin-charge conversion via inverse spin Hall effect (ISHE) is essential for enabling various applications of spintronics. The spin Hall response usually follows a universal scaling relation with longitudinal electric resistivity and has mild temperature dependence because elementary excitations play only a minor role in resistivity and hence ISHE. Here we report that the ISHE of metallic glasses shows nearly two orders of magnitude enhancements with temperature increase from a threshold of 80-100 K to glass transition points. As electric resistivity changes only marginally in the temperature range, the anomalous temperature dependence is in defiance of the prevailing scaling law. Such a giant temperature enhancement can be well described by a two-level thermal excitation model of glasses and disappears after crystallization, suggesting a new mechanism which involves unique thermal excitations of glasses. This finding may pave new ways to achieve high spin-charge conversion efficiency at room and higher temperatures for spintronic devices and to detect structure and dynamics of glasses using spin currents.

Formation of polar nano regions through solid-solution additions are known to enhance significantly the functional properties of ferroelectric materials. Despite considerable progress in characterizing the microscopic behavior of polar nano regions, understanding their real-space atomic structure and dynamics of formation remains a considerable challenge. Here, using the method of dynamic pair distribution function, we provide direct insights into the role of solid-solution additions towards the stabilization of polar nano regions in the Pb-free ferroelectric of Ba(Zr,Ti)O3. It is shown that for an optimum level of substitution of Ti by larger Zr ions, the dynamics of atomic displacements for ferroelectric polarization are slowed sufficiently, which leads to increased local correlation among dipoles below THz frequencies. The dynamic pair distribution function technique demonstrates unique capability to obtain insights into locally correlated atomic dynamics in disordered materials, including new Pb-free ferroelectrics, which is necessary to understand and control their functional properties.

The range of the magnitude of the liquid viscosity as a function of the temperature (T) is one of the most impressive of any physical property, changing by approximately 17 orders of magnitude from its extrapolated value at infinite temperature to that at the glass transition. We present experimental measurements of containerlessly processed metallic liquids that reveal that the ratio of the viscosity to its extrapolated infinite temperature value follows a universal function of Tcoop/T. The temperature Tcoop corresponds to the onset of cooperative motion and is strongly correlated with the glass transition temperature. On average the extrapolated infinite temperature viscosity is found to be nh, where h is Planck's constant and n is the particle number density. A surprising universality in the viscosity of metallic liquids and its relation to the glass transition is demonstrated., Comment: 28 pages, 6 figures, 3 tables

The elementary excitations of vibration in solids are phonons. But in liquids phonons are extremely short-lived and marginalized. In this letter through classical and ab-initio molecular dynamics simulations of the liquid state of various metallic systems we show that different excitations, the local configurational excitations in the atomic connectivity network, are the elementary excitations in high temperature metallic liquids. We also demonstrate that the competition between the configurational excitations and phonons determines the so-called crossover phenomenon in liquids. These discoveries open the way to the explanation of various complex phenomena in liquids, such as fragility and the rapid increase in viscosity toward the glass transition, in terms of these excitations.

We report time-of-flight neutron powder diffraction results on stoichiometric BaFe2As2. Pair distribution function analysis shows that the orthorhombic distortion in the a-b plane at short distances are significantly different from the average lattice distortion, indicating local variations in the lattice at the short-range. We propose that this local variation reflects a high density of nano-twins, short-ranged structures which locally affect the magnetic alignment. This results suggests that the discrepancies between the observed and calculated magnetic moments in BaFe2As2 arise partly from short-ranged variation of the lattice in the a-b plane., Comment: Accepted in Phys. Rev. B

A direct and element-specific measurement of the local Fe spin moment has been provided by analyzing the Fe 3s core level photoemission spectra in the parent and optimally doped CeFeAsO1-xFx (x = 0, 0.11) and Sr(Fe1 xCox)2As2 (x = 0, 0.10) pnictides. The rapid time scales of the photoemission process allowed the detection of large local spin moments fluctuating on a 10-15 s time scale in the paramagnetic, anti-ferromagnetic and superconducting phases, indicative of the occurrence of ubiquitous strong Hund's magnetic correlations. The magnitude of the spin moment is found to vary significantly among different families, 1.3 \muB in CeFeAsO and 2.1 \muB in SrFe2As2. Surprisingly, the spin moment is found to decrease considerably in the optimally doped samples, 0.9 \muB in CeFeAsO0.89F0.11 and 1.3 \muB in Sr(Fe0.9Co0.1)2As2. The strong variation of the spin moment against doping and material type indicates that the spin moments and the motion of itinerant electrons are influenced reciprocally in a self-consistent fashion, reflecting the strong competition between the antiferromagnetic super-exchange interaction among the spin moments and the kinetic energy gain of the itinerant electrons in the presence of a strong Hund's coupling. By describing the evolution of the magnetic correlations concomitant with the appearance of superconductivity, these results constitute a fundamental step toward attaining a correct description of the microscopic mechanisms shaping the electronic properties in the pnictides, including magnetism and high temperature superconductivity.

In this work we present the results of an inelastic x-ray scattering experiment detailing the behavior of the transverse acoustic [110] phonon in BaFe2As2 as a function of temperature. When cooling through the structural transition temperature, the transverse acoustic phonon energy is reduced from the value at room temperature, reaching a maximum shift near inelastic momentum transfer q=0.1. This softening of the lattice results in a change of the symmetry from tetragonal to orthorhombic at the same temperature as the transition to long-range antiferromagnetic order. While the lattice distortion is minor, the anisotropy in the magnetic exchange constants in pnictide parent compounds is large. We suggest mechanisms of electron-phonon coupling to describe the interaction between the lattice softening and onset of magnetic ordering., Comment: As accepted for publication in Physical Review B

We report inelastic x-ray scattering measurements of the temperature dependence of phonon dispersion in the prototypical charge-density-wave (CDW) compound NbSe2. Surprisingly, acoustic phonons soften to zero frequency and become overdamped over an extended region around the CDW wavevector. This extended phonon collapse is dramatically different from the sharp cusp in the phonon dispersion expected from Fermi surface nesting. Instead, our experiments combined with ab initio calculations, show that it is the wavevector dependence of the electron-phonon coupling that drives the CDW formation in NbSe$_2$ and determines its periodicity. This mechanism explains the so far enigmatic behavior of CDW in NbSe$_2$ and may provide a new approach to other strongly correlated systems where electron-phonon coupling is important.

The {57}Fe-specific phonon density of states of Ba(Fe(1-x)Co(x))2As2 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 (DOS) 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 transition. 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 Grueneisen parameter. This discrepancy is explained in terms of a magnetic Grueneisen parameter, causing an extra phonon stiffening as magnetism is suppressed under pressure.

We use neutron scattering, to study magnetic excitations in crystals near the ideal superconducting composition of FeTe$_{0.5}$Se$_{0.5}$. Two types of excitations are found, a resonance at (0.5, 0.5, 0) and incommensurate fluctuations on either side of this position. We show that the two sets of magnetic excitations behave differently with doping, with the resonance being fixed in position while the incommensurate excitations move as the doping is changed. These unusual results show that a common behavior of the low energy magnetic excitations is not necessary for pairing in these materials., Comment: 8 pages, 3 figures

We measured phonon frequencies and linewidths in doped and undoped BaFe2As2 single crystals by inelastic x-ray scattering and compared our results with density functional theory (DFT) calculations. In agreement with previous work, the calculated frequencies of some phonons depended on whether the ground state was magnetic or not and, in the former case, whether phonon wavevector was parallel or perpendicular to the magnetic ordering wavevector. The experimental results agreed better with the magnetic calculation than with zero Fe moment calculations, except the peak splitting expected due to magnetic domain twinning was not observed. Furthermore, phonon frequencies were unaffected by the breakdown of the magnetic ground state due to either doping or increased temperature. Based on these results we propose that phonons strongly couple not to the static order, but to high frequency magnetic fluctuations., Comment: Minor revision of the text

The magnetic moment in the parent phase of the iron-pnictide superconductors varies with composition even when the nominal charge of iron is unchanged. We propose the spin-lattice coupling due to the magneto-volume effect as the primary origin of this effect, and formulate a Landau theory to describe the dependence of the moment to the Fe-As layer separation. We then compare the superconductive critical temperature of doped iron pnictides to the local moment predicted by the theory, and suggest that the spin-phonon coupling may play a role in the superconductivity of this compound.

We have found that there is more than one type of conducting carriers generated in LaAlO3/SrTiO3 heterostructures by comparing the sheet carrier density and mobility from optical transmission spectroscopy with those from dc-transport measurements. When multiple types of carriers exist, optical characterization dominantly reflects the contribution from the high-density carriers whereas dc-transport measurements may exaggerate the contribution of the high-mobility carriers even though they are present at low-density. Since the low-temperature mobilities determined by dc-transport in the LaAlO3/SrTiO3 heterostructures are much higher than those extracted by optical method, we attribute the origin of high-mobility transport to the low-density conducting carriers., Comment: 3 figures, supplemental material

We propose a theory of 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 to the atomic volume of Fe defined by 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 discovery of the Fe pnictide superconductors generated great interest as the structure consists of planes of a magnetic material quite similar to the cuprate superconductors. Fe(Te0.5Se0.5) is a particularly simple system whose planes are isostructural to the FeAs layers found in the originally discovered superconductors of this type. We report here neutron scattering measurements on this material that provide an understanding of the superconductivity. Since the information about the Fermi surface is available both from photoemission and band structure calculations for FeTe, FeSe and other related materials the neutron spectra can be used to see if the itinerant electron picture is valid. The results are consistent with a picture where there are both electron and hole Fermi surfaces that make exact (pi,pi) transitions possible. This would normally favor either a spin or charge density wave state. However, our measurements show the extent of the region where (pi,pi) transitions take place and demonstrate that there are a much larger number of transitions near pi,pi). The near (pi,pi) transitions are observed both above and below Tc and are expected to be strongly pairing. The superconductivity can be attributed to these excitations while the exactly (pi,pi) transitions produce the narrow resonance excitation that appears below Tc., Comment: 13 pages, 3 figures

Superconductivity appears to compete against the spin-density-wave in Fe pnictides. However, optimally cobalt doped samples show a quasi-two-dimensional spin excitation centered at the (0.5, 0.5, L) wavevector, "the spin resonance peak", that is strongly tied to the onset of superconductivity. By inelastic neutron scattering on single crystals we show the similarities and differences of the spin excitations in BaFe1.84Co0.16As2, with respect to the spin excitations in the high-temperature superconducting cuprates. As in the cuprates the resonance occurs as an enhancement to a part of the spin excitation spectrum which extends to higher energy transfer and higher temperature. However, unlike in the cuprates, the resonance peak in this compound is asymmetric in energy., Comment: 12 pages, 6 figures; PACS # 74.70.-b, 74.20.Mn, 78.70.Nx, 74.25.Ha; corrected discussion of figures in text

Inelastic neutron scattering measurements on single crystals of superconducting BaFe1.84Co0.16As2 reveal a magnetic excitation located at wavevectors (1/2 1/2 L) in tetragonal notation. On cooling below TC, a clear resonance peak is observed at this wavevector with an energy of 8.6(0.5) meV, corresponding to 4.5(0.3) kBTC. This is in good agreement with the canonical value of 5 kBTC observed in the cuprates. The spectrum shows strong dispersion in the tetragonal plane but very weak dispersion along the c-axis, indicating that the magnetic fluctuations are two-dimensional in nature. This is in sharp contrast to the anisotropic three dimensional spin excitations seen in the undoped parent compounds., Comment: Include additional data showing dispersion

In Fe-As based superconductors magnetism and superconductivity show strong sensitivity to the lattice, suggesting a possibility of unconventional electron-phonon coupling. We investigated c-axis polarized phonons in doped and undoped BaFe2As2 by inelastic X-ray scattering. Phonon peak positions and linewidths did not vary significantly as a function of doping either by Co or by K. The linewidth of the Fe vibration shows unusual wavevector-dependence, which may be due to hybridization with in-plane modes. Comparison with the density functional theory shows significant difference for the energy of the As-As vibrations (Raman active at the zone center) but not for the Fe-As vibrations (infrared-active at the zone center). This behavior cannot be explained by a 10% softening of Fe-As interaction strength as proposed previously for in-plane polarized vibrations.

The ab initio self-interaction-corrected local-spin-density approximation is used to study the electronic structure of both stoichiometric and non-stoichiometric nickelates. From total energy considerations it emerges that, in their ground-state, both LiNiO2 and NaNiO2 are insulators, with the Ni ion in the Ni3+ low spin state (6t2g 1eg) configuration. It is established that a substitution of a number of Li/Na atoms by divalent impurities drives an equivalent number of Ni ions in the NiO2 layers from the JT-active trivalent low-spin state to the JT-inactive divalent state. We describe how the observed considerable di_erences between LiNiO2 and NaNiO2 can be explained through the creation of Ni2+ impurities in LiNiO2. The indications are that the random distribution of the Ni2+ impurities might be responsible for the destruction of the long-range orbital ordering in LiNiO2., Comment: 3 figures, 1 table

We accurately analyze the $^6$He+$^{209}$Bi scattering at 19 and 22.5 MeV near the Coulomb barrier energy, using the continuum-discretized coupled-channels method (CDCC) based on the $n$+$n$+$^4$He+$^{209}$Bi four-body model. The three-body breakup continuum of $^6$He is discretized by diagonalizing the internal Hamiltonian of $^6$He in a space spanned by the Gaussian basis functions. The calculated elastic and total reaction cross sections are in good agreement with the experimental data, while the CDCC calculation based on the di-neutron model of $^6$He, i.e., the $^2n$+$^{4}$He+$^{209}$Bi three-body model, does not reproduce the data., Comment: 5 pages, 5 figures, uses REVTeX 4, submitted to Phys. Rev. C

Using neutron pair distribution function (PDF) analysis over the temperature range from 1000 K to 15 K, we demonstrate the existence of local polarization and the formation of medium-range, polar nanoregions (PNRs) with local rhombohedral order in a prototypical relaxor ferroelectric Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$. We estimate the volume fraction of the PNRs as a function of temperature and show that this fraction steadily increases from 0 % to a maximum of $\sim$ 30% as the temperature decreases from 650 K to 15 K. Below T$\sim$200 K the PNRs start to overlap as their volume fraction reaches the percolation threshold. We propose that percolating PNRs and their concomitant overlap play a significant role in the relaxor behavior of Pb(Mg$_{1/3}$Nb$_{2/3}$)O$_3$., Comment: 4 pages, 3 figures

An accurate treatment of Coulomb breakup reactions is presented by using both the Gaussian expansion method and the method of continuum discretized coupled channels. As $L^2$-type basis functions for describing bound- and continuum-states of a projectile, we take complex-range Gaussian functions, which form in good approximation a complete set in a large configuration space being important for Coulomb-breakup processes. Accuracy of the method is tested quantitatively for $^{8}{\rm B}+^{58}$Ni scattering at 25.8 MeV., Comment: 4 pages, 4 figures; typos removed, a reference added for introduction and submitted to Phys. Rev. C as a brief report

Inelastic neutron scattering data from a twinned single-crystal of YBa2Cu3O6.95 are presented that show a distinct a-b plane anisotropy in the oxygen vibrations. The Cu-O bond-stretching type phonons are simultaneously observed along the a and b directions due to a 4 meV splitting arising from the orthorhombicity. The present results show the bond-stretching branch along b (parallel to the chain) has a continuous dispersion, while the branch along a is discontinuous, suggesting a possibility of short-range cell-doubling along a. Furthermore, the LO mode along a is split in en-ergy from its TO partner at non-zero q-vectors, while the b mode is not. These results imply strong anisotropy in the electronic screening and a one-dimensional character in underlying charge fluctuations., Comment: 4 pages, 4 figures

Recent measurements of neutron elastic and inelastic scattering suggest that the charge states are spatially inhomogeneous at two lengthscales, atomic and nanometer scales, in both the high-temperature superconducting (HTSC) cuprates and colossal magnetoresistive (CMR) manganites. We suggest that the two-phonon mechanism that controls the charge localization in CMR manganites is also at work in HTSC cuprates, and may hold a key to understanding the mechanism of superconductivity., Comment: Proceedings of the New3SC International Conference: to be published in Physica C

Temperature and composition dependences of high-energy longitudinal optical (LO) phonons in YBa2Cu3O{6+x}, studied by inelastic neutron scattering measurements, provide clear evidence for temperature dependent spatial inhomogeneity of doped charges. The measurements indicate that charge doping increases the volume fraction of the charged regions, while the local charge density remains unchanged. For the optimally doped sample the charge distribution changes sharply near the superconducting transition temperature, with stronger charge inhomogeneity below Tc. The remarkable magnitude of the phonon response to charge suggests strong involvement of phonons in charge dynamics., Comment: 7 pages, 4 figures (2 color)