Journal
PHYSICAL REVIEW B
Volume 84, Issue 6, Pages -Publisher
AMER PHYSICAL SOC
DOI: 10.1103/PhysRevB.84.064424
Keywords
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Funding
- US Department of Energy (DOE), Office of Science, Basic Energy Sciences (BES) [DE-AC02-06CH11357]
- Energy Frontier Research in Extreme Environments (EFree) Center
- NSF Earth Sciences [EAR-0838221]
- Carnegie/DOE Alliance Center (CDAC)
- COMPRES
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High-pressure phonon density of states (PDOS) of Fe2O3 across structural and electronic transitions has been investigated by nuclear resonant inelastic x-ray scattering (NRIXS) and first-principles calculations together with synchrotron Mossbauer, x-ray diffraction, and x-ray emission spectroscopies. Drastic changes in elastic, thermodynamic, and vibrational properties of Fe2O3 occur across the Rh2O3(II)-type structural transition at 40-50 GPa, whereas the Mott insulator-metal transition occurring after the structural transition only causes nominal changes in the properties of the Fe2O3. The observed anomalous mode-softening behavior of the elastic constants is associated with the structural transition at 40-50 GPa, leading to substantial changes in the Debye-like part of the PDOS in the terahertz acoustic phonons. Our experimental and theoretical studies provide new insights into the effects of the structural and electronic transitions in the transition-metal oxide (TMO) compounds.
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