화학공학소재연구정보센터
Journal of Physical Chemistry B, Vol.109, No.11, 4965-4968, 2005
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. 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.