Theoretical Description of Pseudocubic Manganites

Abstract

A comprehensive theoretical model for the bulk manganite system La${}_{1-x}$(Ca,Sr)${}_x$MnO${}_3$ is presented. The model includes local and cooperative Jahn-Teller distortions and the on-site Coulomb and exchange interaction. The model is is solved in the single-site dynamical mean field approximation using a solver based on the semiclassical approximation. The model semi-quantitatively reproduces the observed phase diagram for the doping $0\le x<0.5$ and implies that the manganites are in the strong coupling region but close to Mott insulator/metal phase boundary. The results establish a formalism for use in a broader range of calculations, for example on heterostructures.

14 figures, 34 pages, using the bandwidth obtained from LDA with the observed structure, and resulting in a better fit to data.

References in corpus (4)

• Cluster Dynamical Mean Field Theory of the Mott Transition
• Competing Ferromagnetic and Charge-Ordered States in Models for Manganites: the Origin of the CMR Effect
• Local Order and the gapped phase of the Hubbard model: a plaquette dynamical mean field investigation
• Structural distortions and model Hamiltonian parameters: from LSDA to a tight-binding description of LaMnO_3