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TT: Tiefe Temperaturen

TT 16: Posters Correlated Electrons, Measuring Devices, Cryotechnique

TT 16.47: Poster

Samstag, 5. März 2005, 11:00–16:30, Poster TU C

The optical properties of charge ordered Fe₃O₄ — •Alexander Yaresko^1,2, Ivan Leonov^3,4, 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 t_2g minority occupancies of Fe_B²⁺ and Fe_B³⁺ 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.