Large harmonic softening of the phonon density of states of uranium

Phonon density-of-states curves were obtained from inelastic neutron scattering spectra from the three crystalline phases of uranium at temperatures from 50 to 1213 K. The alpha -phase showed an unusually large thermal softening of phonon frequencies. Analysis of the vibrational power spectrum showed that this phonon softening originates with the softening of a harmonic solid, as opposed to vibrations in anharmonic potentials. It follows that thermal excitations of electronic states are more significant thermodynamically than are the classical volume effects. For the alpha-beta and beta-gamma phase transitions, vibrational and electronic entropies were comparable

Microstructural strain energy of α-uranium determined by calorimetry and neutron diffractometry

The microstructural contribution to the heat capacity of α-uranium was determined by measuring the heat-capacity difference between polycrystalline and single-crystal samples from 77 to 320 K. When cooled to 77 K and then heated to about 280 K, the uranium microstructure released (3±1) J/mol of strain energy. On further heating to 300 K, the microstructure absorbed energy as it began to redevelop microstrains. Anisotropic strain-broadening parameters were extracted from neutron-diffraction measurements on polycrystals. Combining the strain-broadening parameters with anisotropic elastic constants from the literature, the microstructural strain energy is predicted in the two limiting cases of statistically isotropic stress and statistically isotropic strain. The result calculated in the limit of statistically isotropic stress was (3.7±0.5) J/mol K at 77 K and (1±0.5) J/mol at room temperature. In the limit of statistically isotropic strain, the values were (7.8±0.5) J/mol K at 77 K and (4.5±0.5) J/mol at room temperature. In both cases the changes in the microstructural strain energy showed good agreement with the calorimetry

Angle-resolved photoemission and first-principles electronic structure of single-crystalline α\alpha-uranium (001)

Continuing the photoemission study begun with the work of Opeil et al. [Phys. Rev. B \textbf{73}, 165109 (2006)], in this paper we report results of an angle-resolved photoemission spectroscopy (ARPES) study performed on a high-quality single-crystal $\alpha$-uranium at 173 K. The absence of surface-reconstruction effects is verified using X-ray Laue and low-energy electron diffraction (LEED) patterns. We compare the ARPES intensity map with first-principles band structure calculations using a generalized gradient approximation (GGA) and we find good correlations with the calculated dispersion of the electronic bands

Tricritical Phenomena at the Cerium γ→α\gamma \to \alpha Transition

The $\gamma \to \alpha$ isostructural transition in the Ce$_{0.9-x}$La$_x$Th$_{0.1}$ system is measured as a function of La alloying using specific heat, magnetic susceptibility, resistivity, thermal expansivity/striction measurements. A line of discontinuous transitions, as indicated by the change in volume, decreases exponentially from 118 K to close to zero with increasing La doping and the transition changes from being first-order to continuous at a critical concentration $0.10 \leq x_c \leq 0.14$. At the tricritical point, the coefficient of the linear $T$ term in the specific heat $\gamma$ and the magnetic susceptibility start to increase rapidly near $x$ = 0.14 and gradually approaches large values at $x$=0.35 signifying that a heavy Fermi-liquid state evolves at large doping. Near $x_c$, the Wilson ratio, $R_W$, has a value of 3.0, signifying the presence of magnetic fluctuations. Also, the low-temperature resistivity shows that the character of the low-temperature Fermi-liquid is changing

Active Creation of Instrinsically Localized Vibrations in Uranium Using X-Ray and Neutron Scattering

In real materials, nonlinear forces cause the frequencies of vibrating atoms to depend on amplitude. As a consequence, a large-amplitude fluctuation on the scale of the atom spacing can develop a frequency that does not resonate with the normal modes, causing energy to become trapped in an intrinsically localized mode (ILM)--also called 'discrete breather' or 'lattice soliton'. As temperature is increased, entropy is expected to stabilize increased concentrations of these random hotspots. This mechanism, which spontaneously concentrates energy, has been observed in analogous systems on a larger scale, but direct sightings at the atomic scale have proved difficult. Two challenges have hampered progress: (1) the need to separate ILMs from modes associated with crystal imperfections, and (2) complications that arise at high temperatures, including feature broadening and multiphonon processes. Here we solve both of these problems by actively creating ILMs at low temperatures in {alpha}-uranium using high-energy inelastic x-ray and neutron scattering. The ILM creation excitation occurs at energies ten times higher than conventional lattice excitations, cleanly separating it from modes associated with crystal imperfections. The discovery of this excitation not only proves the existence of ILMs in uranium but also opens up a new route for finding ILMs in other materials and, in the process, a new area for spectroscopy

Combined experimental and theoretical investigation of the premartensitic transition in Ni2_2MnGa

Ultraviolet-photoemission (UPS) measurements and supporting specific-heat, thermal-expansion, resistivity and magnetic-moment measurements are reported for the magnetic shape-memory alloy Ni$_2$MnGa over the temperature range $100K < T < 250K$. All measurements detect clear signatures of the premartensitic transition ($T_\mathrm{PM}\sim 247K$) and the martensitic transition ($T_\mathrm{M} \sim 196K$). Temperature-dependent UPS shows a dramatic depletion of states (pseudogap) at $T_\mathrm{PM}$ located 0.3eV below the Fermi energy. First-principles electronic structure calculations show that the peak observed at 0.3eV in the UPS spectra for $T > T_\mathrm{PM}$ is due to the Ni-d minority-spin electrons. Below $T_\mathrm{M}$ this peak disappears, resulting in an enhanced density of states at energies around 0.8eV. This enhancement reflects Ni-d and Mn-d electronic contributions to the majority-spin density of states and is accompanied by significant reconstruction of the Fermi surface

Space Qualification of the Optical Filter Assemblies for the ICESat-2/ATLAS Instrument

The Advanced Topographic Laser Altimeter System (ATLAS) will be the only instrument on the Ice, Cloud, and Land Elevation Satellite -2 (ICESat-2). ICESat-2 is the 2nd-generation of the orbiting laser altimeter ICESat, which will continue polar ice topography measurements with improved precision laser-ranging techniques. In contrast to the original ICESat design, ICESat-2 will use a micro-pulse, multi-beam approach that provides dense cross-track sampling to help scientists determine a surface's slope with each pass of the satellite. The ATLAS laser will emit visible, green laser pulses at a wavelength of 532 nm and a rate of 10 kHz and will be split into 6 beams. A set of six identical, thermally tuned optical filter assemblies (OFA) will be used to remove background solar radiation from the collected signal while transmitting the laser light to the detectors. A seventh assembly will be used to monitor the laser center wavelength during the mission. In this paper, we present the design and optical performance measurements of the ATLAS OFA in air and in vacuum prior to their integration on the ATLAS instrument

Non-Equilibrium Creation of Intrinsically Localized Vibrations in Uranium Using X-Ray and Neutron Scattering

In an anharmonic crystal, large-amplitude vibrational fluctuations on the scale of the lattice spacing can develop frequencies that do not resonate with the normal modes, causing energy to become trapped in intrinsically localized modes (ILMs)--also called 'discrete breathers' or 'lattice solitons'. This mechanism has been observed in analogous systems on a larger scale, but unambiguous sightings in atomic lattice vibrations, where quantum mechanics may play a role, have proved difficult. Two challenges have hampered progress: (1) the need to separate ILMs from defect modes, and (2) complications that arise at high temperatures, including feature broadening and multiphonon processes. Here we solve these problems by using x-ray and neutron scattering to induce ILM-forming amplitude fluctuations in uranium at low temperatures, thereby creating nonequilibrium ILMs. Creation of ILMs occurs at a discrete energy, indicating an unexpected quantum character to ILM formation and greatly simplifying detection