Journal
JOURNAL OF PHYSICAL CHEMISTRY B
Volume 109, Issue 11, Pages 4965-4968Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp048748h
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Magnetite, maghemite, and hematite have been the subject of numerous studies using vibration spectroscopy to determine their infrared- and Raman-active phonons. However, no complete and unambiguous set of experimentally observed optically active phonons has yet been reported for these iron oxides. The use of atomistic simulation methods with a transferable Buckingham potential provides new data for the phonon densities of states of magnetite and the two associated phases, hematite and maghemite.
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