Infrared- and Raman-Active Phonons of Magnetite, Maghemite, and Hematite:  A Computer Simulation and Spectroscopic Study

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. T...

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Bibliographic Details
Published inThe journal of physical chemistry. B Vol. 109; no. 11; pp. 4965 - 4968
Main Authors Chamritski, Irina, Burns, Gary
Format Journal Article
LanguageEnglish
Published United States American Chemical Society 24.03.2005
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ISSN1520-6106
1520-5207
DOI10.1021/jp048748h

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Summary: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.
Bibliography:istex:A12CEB90341494157A92B33538590EDEE2C1763C
ark:/67375/TPS-67NJR9SV-X
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ISSN:1520-6106
1520-5207
DOI:10.1021/jp048748h