Abstract
We demonstrate an interrelation between the magnetic properties and optical conductivity for 3d electron systems with active orbital degree of freedom at a transition-metal ion: t2g in d 1 and eg in d 7 configuration. Both systems are described within the two-band Hubbard model which we analyze using exactdiagonalization technique for a two-site molecule at quarter filling. We highlight the main features of the low-temperature optical conductivity spectra for eg and t2g electrons, in the presence of the crystal-field splitting and show that these spectra provide a way to determine both Hund’s exchange JH and intraorbital Coulomb interaction U. The orbital polarization and the entanglement between spin and orbital degrees of freedom are also discussed, together with possible violations of the Goodenough-Kanamori rules.
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