Collective excitations in a melt of fast phase change material GeCu2Te3.

Inelastic x-ray scattering measurements have been carried out to investigate atomic dynamics in a melt of fast phase change material GeCu2Te3. The dynamic structure factor was analysed using the model function with three damped harmonic oscillator components. By investigating the correlation between the excitation energy and the linewidth, and that between the excitation energy and the intensity on contour maps of a relative approximate probability distribution function proportional toexp(-χ2/N), we could judge the reliability of each inelastic excitation in the dynamic structure factor. The results indicate that there are two inelastic excitation modes besides the longitudinal acoustic one in the liquid. The lower energy excitation could be assigned to the transverse acoustic one whereas the higher energy one disperses like fast sound. The latter result may imply that the liquid ternary alloy exhibits a microscopic phase separation tendency.

Low energy excitation in liquid Sb and liquid Bi observed in inelastic x-ray scattering spectra.

The dynamic structure factorS(Q,E), whereQandEare momentum and energy transfer, respectively, has been measured for liquid Sb, using inelastic x-ray scattering. A modified damped harmonic oscillator model function was applied to analyseS(Q,E) of liquid Sb and also to that of liquid Bi by Inuiet al(2015Phys. Rev.B92, 054206). The obtained excitation energy was in fairly good agreement with that predicted byab initiomolecular dynamics simulations on these liquid semi-metals. The excitation energy of the longitudinal acoustic mode in liquid Sb and liquid Bi exhibits flat-toppedQdependence whereas the lower excitation energy below the longitudinal acoustic excitation showsQ-gap behaviour. From the viscosity estimated from theQ-gap experimentally obtained, it is inferred that the lower energy excitation arises from the transverse acoustic excitation in the liquids.

Nematic Correlation Length in Iron-Based Superconductors Probed by Inelastic X-Ray Scattering.

Nematicity is ubiquitous in electronic phases of high-T_{c} superconductors, particularly in the Fe-based systems. We used inelastic x-ray scattering to extract the temperature-dependent nematic correlation length ξ from the anomalous softening of acoustic phonon modes in FeSe, underdoped Ba(Fe_{0.97}Co_{0.03})_{2}As_{2}, and optimally doped Ba(Fe_{0.94}Co_{0.06})_{2}As_{2}. In all cases, we find that ξ is well described by a power law (T-T_{0})^{-1/2} extending over a wide temperature range. Combined with the previously reported Curie-Weiss behavior of the nematic susceptibility, these results point to the mean-field character of the nematic transition, which we attribute to a sizable nematoelastic coupling that is likely detrimental to superconductivity.

Peculiar temperature dependence of dynamical sound speed in liquid Se50Te50 by inelastic x-ray scattering.

Inelastic x-ray scattering (IXS) measurements were carried out on liquid Se50Te50 at temperatures up to 1323 K to investigate how the atomic dynamics changes with temperature through the semiconductor-metal transition. The acoustic mode was clearly observed in the dynamic structure factor and its energy was determined using a damped harmonic oscillator model. The dynamical sound speed obtained by IXS for [Formula: see text] nm-1 was found to behave similarly to the temperature dependence of ultrasonic sound velocity with a minimum near the semiconductor metal transition. The results can be explained by taking liquid Se50Te50 to be an inhomogeneous liquid consisting of metallic and semiconducting domains whose size is approximately 3 nm. The relaxation time obtained from frequency dependence of the dynamical sound speed was on a picosecond time scale.

Viscoelastic anomaly accompanying anti-crossing behaviour in liquid As2Se3.

We investigate the dynamic structure factor of the melt of the well known glass former, As2Se3, using inelastic x-ray scattering for temperatures, T, [Formula: see text] K and momentum transfers Q from [Formula: see text] nm-1. An anomaly was observed at Q = 2.7 nm-1 ([Formula: see text] K) with, in the context of a simple model, both an abrupt change in frequency and an increased linewidth reminiscent of an anti-crossing in a solid. Comparison with structural information from reverse Monte Carlo modeling of x-ray diffraction data allows us to associate the disappearance of the anomaly at higher temperatures with a drop in the number of mechanical constraints per atom, n mc, to [Formula: see text] reminiscent of the threshold applicable for glass formation in rigidity theory. It is inferred that the surprising jump in the dispersion in the liquid may be correlated with a stiffness transition in a network glass.

Ferroelectric-like metallic state in electron doped BaTiO3.

We report that a ferroelectric-like metallic state with reduced anisotropy of polarization is created by the doping of conduction electrons into BaTiO3, on the bases of x-ray/electron diffraction and infrared spectroscopic experiments. The crystal structure is heterogeneous in nanometer-scale, as enabled by the reduced polarization anisotropy. The enhanced infrared intensity of soft phonon along with the resistivity reduction suggests the presence of unusual electron-phonon coupling, which may be responsible for the emergent ferroelectric structure compatible with metallic state.

Transverse excitations in liquid Fe, Cu and Zn.

Transverse acoustic (TA) excitation modes were observed in inelastic x-ray scattering spectra of liquid Fe, Cu and Zn. From the analysis of current correlation functions, we concluded that TA excitation modes can experimentally be detected through the quasi-TA branches in the longitudinal current correlation spectra in these liquid metals. The microscopic elastic constants are estimated and a characteristic difference from macroscopic polycrystalline value was found in Poisson's ratio of liquid Fe, which shows an extremely softer value of ∼0.38 compared with the macroscopic value of ∼0.275. The lifetime of the TA modes were determined to be ∼0.45 ps for liquid Fe and Cu and ∼0.55 ps for liquid Zn, reflecting different interatomic correlations between liquid transition metals and non-transition metals. The propagation length of the TA modes are ∼0.85 nm in all of liquid metals, corresponding to the size of icosahedral or similar size of cages formed instantaneously in these liquid metals.

The origin of antiferroelectricity in PbZrO3.

Antiferroelectrics are essential ingredients for the widely applied piezoelectric and ferroelectric materials: the most common ferroelectric, lead zirconate titanate is an alloy of the ferroelectric lead titanate and the antiferroelectric lead zirconate. Antiferroelectrics themselves are useful in large digital displacement transducers and energy-storage capacitors. Despite their technological importance, the reason why materials become antiferroelectric has remained allusive since their first discovery. Here we report the results of a study on the lattice dynamics of the antiferroelectric lead zirconate using inelastic and diffuse X-ray scattering techniques and the Brillouin light scattering. The analysis of the results reveals that the antiferroelectric state is a 'missed' incommensurate phase, and that the paraelectric to antiferroelectric phase transition is driven by the softening of a single lattice mode via flexoelectric coupling. These findings resolve the mystery of the origin of antiferroelectricity in lead zirconate and suggest an approach to the treatment of complex phase transitions in ferroics.

Transverse excitations in liquid Sn.

Transverse acoustic (TA) excitation modes were observed in inelastic x-ray scattering (IXS) spectra of liquid Sn. The excitation energies and widths of the TA modes are in good agreement with results of an ab initio molecular dynamics simulation. By comparing current correlation spectra between the experimental and theoretical results quantitatively, we have concluded that the TA modes can be detected experimentally through the quasi-TA branches in the longitudinal current correlation spectra. The lifetime and propagation length of the TA modes were determined to be ~0.7 ps and 0.8-1.0 nm, respectively, corresponding to the size of cages formed instantaneously in liquid Sn.

Displacement-type ferroelectricity with off-center magnetic ions in perovskite Sr(1-x)Ba(x)MnO3.

We report a ferroelectric transition driven by the off-centering of magnetic Mn(4+) ions in antiferromagnetic Mott insulators Sr(1-x)Ba(x)MnO(3) with a perovskite structure. As x increases, the perovskite lattice shows the typical soft-mode dynamics, as revealed by the momentum-resolved inelastic x-ray scattering and far-infrared spectroscopy, and the ferroelectricity shows up for x ≥ 0.45. The observed polarization is comparable to that for a prototypical ferroelectric BaTiO(3). We further demonstrate that the magnetic order suppresses the ferroelectric lattice dilation by ∼70% and increases the soft-phonon energy by ∼50%, indicating the largest magnetoelectric effects yet attained.

Temperature gradient analyzers for compact high-resolution X-ray spectrometers.

Compact high-resolution X-ray spectrometers with a one-dimensional temperature gradient at the analyzer crystal are considered. This gradient, combined with the use of a position-sensitive detector, makes it possible to relax the usual Rowland-circle condition, allowing increased space at the sample position for a given energy resolution or arm radius. Thus, for example, it is estimated that approximately meV resolution is possible with a 3 m analyzer arm and 200 mm clearance between the sample and detector. Simple analytic formulae are provided, supported by excellent agreement with ray-tracing simulations. One variation of this method also allows the detector position sensitivity to be used to determine momentum transfer, effectively improving momentum resolution without reducing (slitting down) the analyzer size. Application to medium-resolution ( approximately 10-100 meV) inelastic X-ray scattering spectrometers with large angular acceptance is discussed, where this method also allows increased space at the sample. In some cases the application of a temperature gradient can improve the energy resolution even with a single-element detector.

Unconventional ferroelectric transition in the multiferroic compound TbMnO3 revealed by the absence of an anomaly in c-polarized phonon dispersion.

TbMnO(3) exhibits a spontaneous electric polarization along c concomitantly with a spiral spin ordering modulated along b below T_{C} = 28 K. We have performed inelastic x-ray scattering measurements on a single crystal of TbMnO(3) to clarify whether phonon anomalies related to the ferroelectricity exist. We measured transverse modes, especially the Mn-O-Mn bending mode polarized along c and propagating along b, which we expect is most relevant to the ferroelectricity. However, no anomaly was found in the phonon dispersion below 50 meV across T_{C}. The present result suggests that the mechanism of ferroelectricity in TbMnO(3) is different from that of a conventional displacive-type ferroelectric. The weak coupling between electric polarization and lattice in TbMnO(3) strongly suggests that the ferroelectricity is mainly derived from the spiral spin ordering.

Transverse acoustic excitations in liquid Ga.

The transverse acoustic excitation modes were detected by inelastic x-ray scattering in liquid Ga in the Q range above 9 nm(-1) although liquid Ga is mostly described by a hard-sphere liquid. An ab initio molecular dynamics simulation clearly supports this finding. From the detailed analysis for the S(Q,omega) spectra with a good statistic quality, the lifetime of 0.5 ps and the propagating length of 0.4-0.5 nm can be estimated for the transverse acoustic phonon modes, which may correspond to the lifetime and size of cages formed instantaneously in liquid Ga.

Bond stretching phonon softening and kinks in the angle-resolved photoemission spectra of optimally doped Bi2Sr1.6La0.4Cu2O6+delta superconductors.

We report the first measurement of the Cu-O bond stretching phonon dispersion in optimally doped Bi2Sr1.6La0.4Cu2O6+delta using inelastic x-ray scattering. We found a softening of this phonon at q=( approximately 0.25,0,0) from 76 to 60 meV, similar to the one reported in other cuprates. A comparison with angle-resolved photoemission data on the same sample revealed an excellent agreement in terms of energy and momentum between the angle-resolved photoemission nodal kink and the soft part of the bond stretching phonon. Indeed, we find that the momentum space where a 63+/-5 meV kink is observed can be connected with a vector q=(xi,0,0) with xi > or =0.22, corresponding exactly to the soft part of the bond stretching phonon.

Hard-sphere-like dynamics in a non-hard-sphere liquid.

The collective dynamics of liquid gallium close to the melting point has been studied using inelastic x-ray scattering to probe length scales smaller than the size of the first coordination shell. Although the structural properties of this partially covalent liquid strongly deviate from a simple hard-sphere model, the dynamics, as reflected in the quasielastic scattering, are beautifully described within the framework of the extended heat mode approximation of Enskog's kinetic theory, analytically derived for a hard-sphere system. The present work demonstrates, therefore, the applicability of Enskog's theory beyond simple liquids.

Fast sound in expanded fluid Hg accompanying the metal-nonmetal transition.

The dynamic structure factor S(Q,omega) of expanded fluid Hg has been measured up to the metal-nonmetal transition region at 9.0 g cm(-3) (1723 K and 1940 bars) using high-resolution inelastic x-ray scattering, at momentum transfers, Q, from 0.2 to 4.8 A(-1). Analysis in the framework of generalized hydrodynamics reveals that the frequencies of the collective excitations increase faster with Q than estimated from the macroscopic speed of sound. The effective sound velocity at 9.0 g cm(-3) estimated from the dispersion relation is triple the ultrasonic sound velocity. The present result suggests the existence of fast sound in expanded fluid Hg accompanying the metal-nonmetal transition.

Kohn anomaly in MgB2 by inelastic X-ray scattering.

We study phonons in MgB2 using inelastic x-ray scattering (1.6 and 6 meV resolution). We clearly observe the softening and broadening of the crucial E(2g) mode through the Kohn anomaly along GammaM, in excellent agreement with ab initio calculations. Low temperature measurements (just above and below T(c)) show negligible changes for the momentum transfers investigated and no change in the E(2g) mode at A between room temperature and 16 K. We report the presence of a longitudinal mode along GammaA near in energy to the E(2g) mode that is not predicted by theory.

Softening of Cu-O bond stretching phonons in tetragonal HgBa2CuO4+delta.

Phonons in nearly optimally doped HgBa(2)CuO(4+delta) were studied by inelastic x-ray scattering. The dispersion of the low-energy modes is well described by a shell model, while the Cu-O bond stretching mode at high energy shows strong softening towards the zone boundary, which deviates strongly from the model. This seems to be common in the hole-doped high-T(c) superconducting cuprates, and, based on this work, not related to a lattice distortion specific to each material.

High frequency dynamics in a monatomic glass.

The high frequency dynamics of glassy selenium has been studied by inelastic x-ray scattering at beam line BL35XU (SPring-8). The high quality of the data allows one to pinpoint the existence of a dispersing acoustic mode for wave vectors (Q) of 1.5