2005
DOI: 10.1021/jp048748h
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Infrared- and Raman-Active Phonons of Magnetite, Maghemite, and Hematite:  A Computer Simulation and Spectroscopic Study

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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Cited by 366 publications
(286 citation statements)
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“…Bands were assigned according to Raman databases: RASMIN (Raman Spectra Database of Minerals and Inorganic Materials, http://riodb.ibase.aist.go.jp/rasmin/E_index.htm) and RUFF (http://rruff.info/). Hematite and iron oxide bands were assigned according to [36,37] .…”
Section: Methodsmentioning
confidence: 99%
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“…Bands were assigned according to Raman databases: RASMIN (Raman Spectra Database of Minerals and Inorganic Materials, http://riodb.ibase.aist.go.jp/rasmin/E_index.htm) and RUFF (http://rruff.info/). Hematite and iron oxide bands were assigned according to [36,37] .…”
Section: Methodsmentioning
confidence: 99%
“…Bands were assigned according to Raman databases: RASMIN (Raman Spectra Database of Minerals and Inorganic Materials, http://riodb.ibase.aist.go.jp/rasmin/E_index.htm) and RUFF (http://rruff.info/). Hematite and iron oxide bands were assigned according to [36,37] .In addition, the system was equipped with a head for atomic force microscopic imaging, which allowed measurement of the same sample position consecutively with both techniques. The AFM was mounted beneath a 10× objective (Nikon, air) and was operated in tapping mode using back-side gold-coated cantilevers (Nanosenors, PPP-NCT-Au, <10 nm tip radius).…”
mentioning
confidence: 99%
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“…3. The non-doped catalyst Mn0 shows four distinct bands at approximately 195 cm −1 (T 2g ), 348 cm −1 (E 1g ), 497 cm −1 (T 2g ) and 693 cm −1 (A 1g ), respectively, close to the active phonon modes of maghemite in the study by Graves et al [48] and Chamritski et al [49]. With the increase of Mn substitution, the peaks at low wavenumber gradually decrease in intensity, and some of them even disappear for Mn1.0.…”
Section: Structure and Surface Characterization 331 Ramanmentioning
confidence: 59%
“…The full width at half maximum for the rocking curve of the (111) To confirm the phase purity of Fe 3 O 4 in the film, Raman spectroscopy measurements have been performed since the Raman technique is very sensitive to the different phases of iron oxides on account of the vibrational frequencies of different compositions. 17 Figure. 1(b) shows a Raman spectrum of a Fe 3 O 4 thin film on a SiO 2 substrate.…”
Section: Film Characterizationmentioning
confidence: 99%