Raman spectroscopy of Fe2O3 to 62 GPa
-
Sang-Heon Shim
and
Thomas S. Duffy
Abstract
Raman spectra of Fe2O3 were measured to 62 GPa in a diamond anvil cell. All group theoretically predicted Raman-active phonon modes were detected to 54 GPa. In addition, some high-pressure spectra show an IR-active Eu mode (~660 cm-1), possibly induced by surface defects or stress. This mode is related by a factor of two to a mode at 1320 cm-1. The assignment of the 1320 cm-1 mode has been controversial (two-magnon scattering or two-phonon scattering), and our observation supports the phonon assignment. All Raman-active phonons show nonlinear pressure-induced shifts. The mode Grüneisen parameters and their logarithmic volume dependences for two low-frequency phonons, A1g and Eg, become negative and infinite, respectively, near 50 GPa as a result of the instability of the corundum structure at this pressure. Using the observed Raman-active phonons together with acoustic phonons previously measured by ultrasonics, and Kieffer’s model, we calculate the phonon contribution to the thermodynamic parameters of hematite. Comparison with experimentally measured values allows an estimation of an upper bound to the magnon contribution to the heat capacity at ambient pressure. This increases continuously above the Morin temperature and reaches a maximum at the Néel temperature (~37%). The Raman spectra change dramatically at pressures greater than 54 GPa as indicated by the appearance of new peaks and a significant increase in background. Although direct structural analysis is not possible due to the low signal-to-background ratio and the lack of polarization information, we were able to examine the consistency of our Raman observation with the corundum-to-perovskite phase transformation using the results for an analog system: MgSiO3 ilmenite (ordered corundum type) and perovskite. This analysis shows that observed new features in Fe2O3 Raman spectra may not be consistent with the GdFeO3 perovskite structure.
© 2015 by Walter de Gruyter Berlin/Boston
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Articles in the same Issue
- Presidential Address. Scales of disequilibrium and rates of equilibration during metamorphism
- Characterization of coexisting NH4- and K-micas in very low-grade metapelites
- Effect of sonic and ultrasonic frequencies on the crystallization of basalt
- Sulfur saturation limits in silicate melts and their implications for core formation scenarios for terrestrial planets
- Molecular water in beryl, VIAl2 [Be3Si6O18]·nH2O, as a function of pressure and temperature: An experimental study
- Fluid-induced nucleation of (Y + REE)-phosphate minerals within apatite: Nature and experiment. Part I. Chlorapatite
- X-ray spectroscopic investigations of fluids in the hydrothermal diamond anvil cell: The hydration structure of aqueous La3+ up to 300 °C and 1600 bars
- Fibrous nanoinclusions in massive rose quartz: HRTEM and AEM investigations
- Polysomatism in högbomite: The crystal structures of 10T, 12H, 14T, and 24R polysomes
- Ordering of hydroxyl defects in hydrous wadsleyite (β-Mg2SiO4)
- The crystal structure and cation ordering of Phase-X-(K1–x–n)2(Mg1–n[Al,Cr]n)2Si2O7H2x: A potential K- and H-bearing phase in the mantle
- Feasibility of determining the quantitative OH content of garnets with Raman spectroscopy
- Raman spectroscopic study of garnet inclusions in diamonds from the mantle transition zone
- Raman spectroscopy of Fe2O3 to 62 GPa
- Study of the (010) olivine surface by Rutherford backscattering spectrometry in channeling geometry
- Equation of state of dense hydrous magnesium silicate phase A, Mg7Si2O8(OH)6
- Si-F bonding in aluminosilicate glasses: Inferences from ab initio NMR calculations
- Monoclinic nearly stoichiometric wüstite at low temperatures
- On the nature of tincalconite
- Letters. Chloride ion sites in silicate and aluminosilicate glasses: A preliminary study by 35Cl solid-state NMR
- Nuclear magnetic resonance and infrared spectroscopic study of excess-boron olenite from Koralpe, Styria, Austria
