The electronic structure of the doped manganites (Formula presented)(Formula presented)(Formula presented) was calculated by the LSDA+U method which takes into account the local Coulomb interaction between d electrons of transition-metal ions. In contrast to the standard local-spin-density approximation, no Jahn-Teller lattice distortions are needed to reproduce the experimentally observed orbital ordering in the undoped (Formula presented). The correct ground state, a charge and orbital ordered antiferromagnetic insulator, was obtained for (Formula presented)(Formula presented)(Formula presented). The results are in a good agreement with the neutron-diffraction data.
|Number of pages||6|
|Journal||Physical Review B - Condensed Matter and Materials Physics|
|Publication status||Published - 1997|