Berlin 2005 – scientific programme
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TT: Tiefe Temperaturen
TT 16: Posters Correlated Electrons, Measuring Devices, Cryotechnique
TT 16.47: Poster
Saturday, March 5, 2005, 11:00–16:30, Poster TU C
The optical properties of charge ordered Fe3O4 — •Alexander Yaresko1,2, Ivan Leonov3,4, Victor Antonov2, Michail Korotin4, and Vladimir Anisimov4 — 1MPI PKS, Noethintzer Str. 38, 01187, Dresden, Germany — 2Institute of Metal Physics, Kiev, Ukraine — 3Theoretical Physics III, Institiute for Physics, University of Augsburg, Germany — 4Institute of Metal Physics, Russian Academy of Science-Ural Division, Yekaterinburg, Russia
Charge and orbital ordering in the low-temperature monoclinic phase of magnetite (Fe3O4) and its optical and magneto-optical properties are investigated using the LSDA and LSDA+U approaches. It is found that while the difference between t2g minority occupancies of FeB2+ and FeB3+ cations is large and gives direct evidence for charge ordering, the screening is so effective that the total 3d charge disproportion is rather small. The calculated optical spectra agree well with the experimental ones. A band-by-band decomposition of the calculated optical conductivity allows to relate the experimentally observed peaks to particular interband transitions.