Ahmet Alatas

Sound velocities of Fe and Fe-Si alloy in the Earth’s core

Compressional wave velocity-density (VP - ρ) relations of candidate Fe alloys at relevant pressure-temperature conditions of the Earth’s core are critically needed to evaluate the composition, seismic signatures, and geodynamics of the planet’s remotest region. Specifically, comparison between seismic VP - ρ profiles of the core and candidate Fe alloys provides first-order information on the amount and type of potential light elements—including H, C, O, Si, and/or S—needed to compensate the density deficit of the core. To address this issue, here we have surveyed and analyzed the literature results in conjunction with newly measured VP - ρ results of hexagonal closest-packed (hcp) Fe and hcp-Fe0.85Si0.15 alloy using in situ high-energy resolution inelastic X-ray scattering and X-ray diffraction. The nature of the Fe-Si alloy where Si is readily soluble in Fe represents an ideal solid-solution case to better understand the light-element alloying effects. Our results show that high temperature significantly decreases the VP of hcp-Fe at high pressures, and the Fe-Si alloy exhibits similar high-pressure VP - ρ behavior to hcp-Fe via a constant density offset. These VP - ρ data at a given temperature can be better described by an empirical power-law function with a concave behavior at higher densities than with a linear approximation. Our new datasets, together with literature results, allow us to build new VP - ρ models of Fe alloys in order to determine the chemical composition of the core. Our models show that the VP - ρ profile of Fe with 8 wt % Si at 6,000 K matches well with the Preliminary Reference Earth Model of the inner core.

Direct Observation of Dynamic Symmetry Breaking above Room Temperature in Methylammonium Lead Iodide Perovskite

Lead halide perovskites such as methylammonium lead triiodide (CH3NH3PbI3) have outstanding optical and electronic properties for photovoltaic applications, yet a full understanding of how this solution-processable material works so well is currently missing. Previous research has revealed that CH3NH3PbI3 possesses multiple forms of static disorder regardless of preparation method, which is surprising in light of its excellent performance. Using high energy resolution inelastic X-ray (HERIX) scattering, we measure phonon dispersions in CH3NH3PbI3 and find direct evidence for another form of disorder in single crystals: large-amplitude anharmonic zone edge rotational instabilities of the PbI6 octahedra that persist to room temperature and above, left over from structural phase transitions that take place tens to hundreds of degrees below. Phonon calculations show that the orientations of the methylammonium (CH3NH3+) couple strongly and cooperatively to these modes. The result is a noncentrosymmetric, insta...

An inelastic X-ray spectrometer with 2.2 meV energy resolution

We present a new spectrometer at the Advanced Photon Source for inelastic X-ray scattering with an energy resolution of 2.2 meV at an incident energy of 21.6 keV. For monochromatization, a nested structure of one silicon channel cut and one ‘artificial’ channel cut is used in forward-scattering geometry. The energy analysis is achieved by a two-dimensional focusing silicon analyzer in backscattering geometry. In the first demonstration experiments, elastic scattering from a Plexiglas TM sample and two dispersion curves in a beryllium single crystal were measured. Based on these data sets, the performance of the new spectrometer is discussed. Published by Elsevier Science B.V.

Six-reflection meV-monochromator for synchrotron radiation

A design is presented for a cryogenically stabilized monochromator for 10–40 keV synchrotron radiation that uses six crystal reflections to achieve a meV-bandpass with high efficiency.

Protein elasticity probed with two synchrotron-based techniques

Compressibility characterizes three interconnecting properties of a protein: dynamics, structure, and function. The compressibility values for the electron-carrying protein cytochrome c and for other proteins, as well, available in the literature vary considerably. Here, we apply two synchrotron-based techniques--nuclear resonance vibrational spectroscopy and inelastic x-ray scattering--to measure the adiabatic compressibility of this protein. This is the first report of the compressibility of any material measured with this method. Unlike the methods previously used, this novel approach probes the protein globally, at ambient pressure, does not require the separation of protein and solvent contributions to the total compressibility, and uses samples that contain the heme iron, as in the native state. We show, by comparing our results with molecular dynamics predictions, that the compressibility is almost independent of temperature. We discuss potential applications of this method to other materials beyond proteins.

A cryogenically stabilized meV-monochromator for hard X-rays.

The design and performance results for a cryogenically stabilized high-resolution monochromator for 23.880 keV (lambda = 52 pm) X-rays are presented. The four-crystal-reflection monochromator is suitable for nuclear resonant scattering measurements from 119Sn compounds using synchrotron radiation. The design includes a low-vibration cryostat that maintains two of the four crystal reflections at a temperature where the coefficient for thermal expansion of the crystalline material (silicon) vanishes. Test results demonstrate a 1.3 meV bandwidth with negligible broadening due to vibrations and a spectral efficiency of 37% when used with an undulator source.

Studies of short-wavelength collective molecular motions in lipid bilayers using high resolution inelastic X-ray scattering ☆

We summarize a series of experimental results made with the newly developed high resolution X-ray scattering (IXS) instrument on two pure lipid bilayers, including dimyristoylphosphatidylcholine (DMPC) and dilauroylphosphatidylcholine (DLPC) in both gel and liquid crystal phases, and lipid bilayers containing cholesterol. By analyzing the IXS data based on the generalized three effective eigenmode model (GTEE), we obtain dispersion relations of the high frequency density oscillations (phonons) of lipid molecules in these bilayers. We then compare the dispersion relations of pure lipid bilayers of different chain lengths among themselves and the dispersion relations of pure lipid bilayers with those of the cholesterol containing bilayers. We also compare our experimental results with collective dynamics data generated by computer molecular dynamics (MD) simulations for dipalmitoylphosphatidylcholine (DPPC) in gel phase and DMPC in liquid crystal phase.

Observation of phonons with resonant inelastic x-ray scattering

Phonons, the quantum mechanical representation of lattice vibrations, and their coupling to the electronic degrees of freedom are important for understanding thermal and electric properties of materials. For the first time, phonons have been measured using resonant inelastic x-ray scattering (RIXS) across the Cu K-edge in cupric oxide (CuO). Analyzing these spectra using an ultra-short core-hole lifetime approximation and exact diagonalization techniques, we can explain the essential inelastic features. The relative spectral intensities are related to the electron-phonon coupling strengths.

Observation of a Continuous Phase Transition in a Shape-Memory Alloy

Elastic neutron-scattering, inelastic x-ray scattering, specific-heat, and pressure-dependent electrical transport measurements have been made on single crystals of AuZn and Au0.52Zn0.48. Elastic neutron scattering detects new commensurate Bragg peaks (modulation) appearing at Q =(1.33,0.67,0) at temperatures corresponding to each samples transition temperature (TM = 64 and 45 K, respectively). Although the new Bragg peaks appear in a discontinuous manner in the Au0.52Zn0.48 sample, they appear in a continuous manner in AuZn. Surprising us, the temperature dependence of the AuZn Bragg peak intensity and the specific-heat jump near TM are in favorable accord with a continuous transition. A fit to the pressure dependence of TM suggests the presence of a critical end point in the AuZn phase diagram located at TM* = 2.7 K and p* = 3.1 GPa.

Phonon softening near the structural transition in BaFe2As2 observed by inelastic x-ray scattering

In this work we present the results of an inelastic x-ray scattering experiment detailing the behavior of the transverse acoustic [110] phonon in BaFe{sub 2}As{sub 2} 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 the onset of magnetic ordering.