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