Elasticity and lattice dynamics of enstatite at high pressure

Abstract

The behavior of synthetic‐powdered 57Fe‐enriched enstatite (Mg0.980Fe0.020(5))(Mg0.760Fe0.240)Si2O6 has been explored by X‐ray diffraction (XRD) and nuclear resonant inelastic X‐ray scattering (NRIXS). The Pbca‐structured enstatite sample was compressed in fine pressure increments for our independent XRD measurements. One structural transition between 10.1 and 12.2 GPa has been identified from the XRD data. The XRD reflections observed for the high‐pressure phase are best matched with space group P21/c. We combine density functional theory with Mössbauer spectroscopy and NRIXS to understand the local site symmetry of the Fe atoms in our sample. A third‐order Birch‐Murnaghan (BM3) equation of state fitting gives KT0=103±5 GPa and KT0′=13±2 for the Pbca phase. At 12 GPa, a BM3 fitting gives KT12=220±10 GPa with KT12′=8±4 for the P21/c phase. NRIXS measurements were performed with in situ XRD up to 17 GPa. The partial phonon density of states (DOS) was derived from the raw NRIXS data, and from the low‐energy region of the DOS, the Debye sound velocity was determined. We use the equation of state determined from XRD and Debye sound velocity to compute the isotropic compressional (VP) and shear (VS) wave velocities of enstatite at different pressures. Our results help constrain the high‐pressure properties of Pbca‐structured enstatite in the Earth's upper mantle. We find that candidate upper mantle phase assemblages containing Pbca‐structured enstatite are associated with shear velocity gradients that are higher than the average Earth model PREM but lower than regional studies down to about 250 km depth.