ABSTRACT
In common with many strongly correlated electron systems, intermediate valence compounds are believed to display a crossover from a high-temperature regime of incoherently fluctuating local moments to a low-temperature regime of coherent hybridized bands. We show that inelastic neutron scattering measurements of the dynamic magnetic susceptibility of CePd3 provides a benchmark for ab initio calculations based on dynamical mean field theory. The magnetic response is strongly momentum dependent thanks to the formation of coherent f-electron bands at low temperature, with an amplitude that is strongly enhanced by local particle-hole interactions. The agreement between experiment and theory shows that we have a robust first-principles understanding of the temperature dependence of f-electron coherence.
ABSTRACT
This contribution describes a new local structure compatible gas/liquid cell apparatus for probing disordered materials at high pressures and variable temperatures in the Neutron Powder Diffraction instrument at the Lujan Neutron Scattering Center, Los Alamos National Laboratory. The new sample environment offers choices for sample canister thickness and canister material type. Finite element modeling is utilized to establish maximum allowable working pressures of 414 MPa at 15 K and 121 MPa at 600 K. High quality atomic pair distribution function data extraction and modeling have been demonstrated for a calibration standard (Si powder) and for supercritical and subcritical CO2 measurements. The new sample environment was designed to specifically target experimental studies of the local atomic structures involved in geologic CO2 sequestration, but will be equally applicable to a wide variety of energy applications, including sorption of fluids on nano/meso-porous solids, clathrate hydrate formation, catalysis, carbon capture, and H2 and natural gas uptake/storage.
ABSTRACT
The five independent moduli required to construct the complete monocrystal elastic modulus tensor of the hexagonal-symmetry superhard compound ReB(2) were measured from 308 to 5 K using resonant ultrasound spectroscopy on a special-texture polycrystal. This is possible because, confirmed by X-ray diffraction, the specimen measured was composed of grains with hexagonal axes parallel so that its polycrystal elastic response is identical to a monocrystal and because hexagonal-symmetry solids are elastically isotropic in the plane perpendicular to the hexagonal axis. Along the hexagonal (c) axis, C(33) (0) = 1021 GPa, nearly equal to C(11) of diamond, and consistent with the superhard properties. However, in the (softer) isotropic plane, C(11) (0) = 671 GPa, much lower than diamond. The changes of C(ij) with temperature are very small and smooth. The Debye temperature was computed to be 738 K, and using a high-temperature approximation, the Grüneisen parameter is γ = 1.7.
