Abstract
Using the Mott–Littleton approach we examine the energies of a number of fundamental optical transitions, as well as those involving self-trapped holes of Mn4+ and O− in LaMnO3 lattice. The reasonable agreement with the experiment of our predicted energies, linewidths and oscillator strengths leads us to plausible assignments of the optical bands observed. We deduce that the optical band near 5eV is associated with O(2p)–Mn(3d) transition of charge-transfer character, whereas the band near 2.3eV is rather associated with the presence of Mn4+ and/or O− self-trapped holes in the as-grown non-stoichiometric LaMnO3 compound. We do not exclude other contributions to the latter band.
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