title: Pressure-Induced Invar Behavior in Pd3Fe.
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.
authors: California Institute of Technology, W. M. Keck Laboratory 138-78, Pasadena, California 91125, USA.
authors: M L
authors: ML
authors: Winterrose
authors: M S
authors: MS
authors: Lucas
authors: A F
authors: AF
authors: Yue
authors: I
authors: I
authors: Halevy
authors: L
authors: L
authors: Mauger
authors: J A
authors: JA
authors: Muñoz
authors: Jingzhu
authors: J
authors: Hu
authors: M
authors: M
authors: Lerche
authors: B
authors: B
authors: Fultz