ABSTRACT
Synchrotron x-ray diffraction (XRD) measurements, nuclear forward scattering (NFS) measurements, and density functional theory (DFT) calculations were performed on L1_{2}-ordered Pd3Fe. Measurements were performed at 300 K at pressures up to 33 GPa, and at 7 GPa at temperatures up to 650 K. The NFS revealed a collapse of the 57Fe magnetic moment between 8.9 and 12.3 GPa at 300 K, coinciding with a transition in bulk modulus found by XRD. Heating the sample under a pressure of 7 GPa showed negligible thermal expansion from 300 to 523 K, demonstrating Invar behavior. Zero-temperature DFT calculations identified a ferromagnetic ground state and showed several antiferromagnetic states had comparable energies at pressures above 20 GPa.
ABSTRACT
The phonon density of states of nanocrystalline bcc Fe and nanocrystalline fcc Ni3Fe were measured by inelastic neutron scattering in two different ranges of energy. As has been reported previously, the nanocrystalline materials showed enhancements in their phonon density of states at energies from 2 to 15 meV, compared to control samples composed of large crystals. The present measurements were extended to energies in the micro-eV range, and showed significant, but smaller, enhancements in the number of modes in the energy range from 5 to 18 microeV. These modes of micro-eV energies provide a long-wavelength limit that bounds the fraction of modes at milli-eV energies originating with the cooperative dynamics of the nanocrystalline microstructure.
