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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| Published in | The journal of physical chemistry. B Vol. 109; no. 11; pp. 4965 - 4968 |
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| Main Authors | , |
| Format | Journal Article |
| Language | English |
| Published |
United States
American Chemical Society
24.03.2005
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| Online Access | Get full text |
| ISSN | 1520-6106 1520-5207 |
| DOI | 10.1021/jp048748h |
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| 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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| AbstractList | 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. 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.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. |
| Author | Chamritski, Irina Burns, Gary |
| Author_xml | – sequence: 1 givenname: Irina surname: Chamritski fullname: Chamritski, Irina – sequence: 2 givenname: Gary surname: Burns fullname: Burns, Gary |
| BackLink | https://www.ncbi.nlm.nih.gov/pubmed/16863155$$D View this record in MEDLINE/PubMed |
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| Snippet | Magnetite, maghemite, and hematite have been the subject of numerous studies using vibration spectroscopy to determine their infrared- and Raman-active... |
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| Title | Infrared- and Raman-Active Phonons of Magnetite, Maghemite, and Hematite: A Computer Simulation and Spectroscopic Study |
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