Measurements of the Lamb-Mössbauer factor at simultaneous high-pressure-temperature conditions and estimates of the equilibrium isotopic fractionation of iron

Isotopic fractionation has been linked to the lattice vibrations of materials through their phonon spectra. The Lamb-Mössbauer factor (f_(LM)) has the potential to provide information about the lattice vibrations in materials. We constrain the temperature evolution of the f_(LM) of γ- and ε-Fe at in situ high-P-T conditions between 1650 K and the melting point. We find that the vibrations of γ- and ε-Fe can be described using a quasiharmonic model with a pressure- and temperature-dependent Debye temperature computed from the measured f_(LM). From the Debye temperature, we derive the equilibrium isotopic fractionation β-factor of iron. Our results show that the quasiharmonic behavior of metallic iron would lower the value of lnβ_(Fe)^(57/54) by 0.1‰ at 1600–2800 K and 50 GPa when compared to the extrapolation of room temperature nuclear resonant inelastic X-ray scattering data. Our study suggests that anharmonicity may be more prevalent in Fe metal than in lower mantle minerals at 2800 K and 50 GPa, a relevant condition for the core formation, and the silicate mantle may be isotopically heavy in iron.