Physical review. B, Condensed matter · 2003 · 22 citations · 52 references
Magnetic PropertiesCharge ExcitationsEngineeringElectronic StructureMagnetismMultiferroicsQuantum MaterialsQuantum MatterPhysicsThree-dimensional PerovskiteNear-neighbor Coulomb RepulsionCondensed Matter TheorySolid-state PhysicQuantum MagnetismSpintronicsNatural SciencesCondensed Matter PhysicsApplied PhysicsCharge OrderingDouble-exchange Model
The three-dimensional perovskite manganites ${R}_{1\ensuremath{-}x}{A}_{x}{\mathrm{MnO}}_{3}$ in the range of hole doping $x>0.5$ are studied in detail using a double-exchange model with degenerate ${e}_{g}$ orbitals including intraorbital and interorbital correlations and near-neighbor Coulomb repulsion. We show that such a model captures the observed phase diagram and orbital ordering in the intermediate- to large-bandwidth regimes. It is argued that the Jahn-Teller effect, considered to be crucial for the region $x<0.5,$ does not play a major role in this region, particularly for systems with moderate to large bandwidths. The anisotropic hopping across the degenerate ${e}_{g}$ orbitals is essential for the understanding of the ground-state phases of this region, an observation emphasized earlier by Brink and Khomskii. Based on calculations using a realistic limit of finite Hund's coupling, we show that the inclusion of interactions stabilizes the C phase, and the antiferromagnetic metallic A-phase moves closer to $x=0.5$ while the ferromagnetic phase shrinks, in agreement with recent observations. The charge ordering close to $x=0.5$ and the effect of reduction of bandwidth are also outlined. The effect of disorder and the possibility of inhomogeneous mixture of competing states are discussed.
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