Infrared- and Raman-Active Phonons of Magnetite, Maghemite, and Hematite: A Computer Simulation and Spectroscopic Study
Irina ChamritskiSchool of Chemical and Physical Sciences, Victoria University of Wellington, P.O. Box 600, Wellington, New Zealand, and Materials Performance Technologies, Lower Hutt, New ZealandGary R. BurnsSchool of Chemical and Physical Sciences, Victoria University of Wellington, P.O. Box 600, Wellington, New Zealand, and Materials Performance Technologies, Lower Hutt, New Zealand
2005en
ABI
Abstract
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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