Infrared- and Raman-Active Phonons of Magnetite, Maghemite, and Hematite: A Computer Simulation and Spectroscopic Study 论文
2005The Journal of Physical Chemistry B引用 434
Iron oxide chemistry and applicationsMineralogy and Gemology StudiesGeochemistry and Geologic Mapping
详细信息
- 发表期刊/会议
- The Journal of Physical Chemistry B
- 发表日期
- 2005-02-25
- 发表年份
- 2005
关键词
Iron oxide chemistry and applicationsMineralogy and Gemology StudiesGeochemistry and Geologic Mapping
摘要
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.