Systematic study of the spin and orbital ordering for the wide class of distorted perovskite oxides based on realistic modeling

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On the basis of first-principles electronic structure calculations, the microscopic low-energy models were constructed for the series of RMO_3 compounds (where R is the trivalent element and M is Ti, V, or Mn) with distorted perovskite structure. The model was used for systematic analysis of the effect of lattice distortions and electron correlations on the magnetic structure of RMO_3. The microscopic interactions responsible for the formation of complex magnetic structures in manganites RMnO_3, which breaks the inversion symmetry and give rise to the ferroelectric activity, are discussed in details. The analysis is supplemented by calculations of electronic polarization using the Berry-phase formalism.