title: 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.
authors.affiliation: School of Chemical and Physical Sciences, Victoria University of Wellington, P.O. Box 600, Wellington, New Zealand. i.chamritskaia@irl.cri.nz
authors.forename: Irina
authors.initials: I
authors.lastname: Chamritski
authors.forename: Gary
authors.initials: G
authors.lastname: Burns