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 (18)

• Cooperative Jahn-Teller Effect and Electron-Phonon Coupling in $L{a}_{1-x}{A}_{x}Mn{O}_3$
• On the Fermi Liquid to Polaron Crossover II: Double Exchange and the Physics of "Colossal" Magnetoresistance
• Cluster Dynamical Mean Field Theory of the Mott Transition
• Optical Conductivity of Manganites: Crossover from Jahn-Teller Small Polaron to Coherent Transport in the Ferromagnetic State
• On the Fermi Liquid to Polaron Crossover I: General Results
• Electronic origin of magnetic and orbital ordering in insulating LaMnO_3
• The metal-insulator transition and its relation to magnetic structure in (LaMnO3)2n/(SrMnO3)n superlattices
• Competing Ferromagnetic and Charge-Ordered States in Models for Manganites: the Origin of the CMR Effect
• Spin-controlled Mott-Hubbard bands in LaMnO_3 probed by optical ellipsometry
• Local Order and the gapped phase of the Hubbard model: a plaquette dynamical mean field investigation
• Evidence for charge localization in the ferromagnetic phase of La_(1-x)Ca_(x)MnO_3 from High real-space-resolution x-ray diffraction
• Effects of uniaxial strain in LaMnO_3
• A new numerical algorithm for the double-orbital Hubbard model -- Hund-coupled pairing symmetry in the doped case
• Interplay of charge and orbital ordering in manganese perovskites
• Orbital ordering in charge transfer insulators
• Structural distortions and model Hamiltonian parameters: from LSDA to a tight-binding description of LaMnO_3
• Dynamical mean field theory for transition temperature and optics of CMR manganites
• Benchmarking a semiclassical impurity solver for dynamical-mean-field theory: self-energies and magnetic transitions of the single-orbital Hubbard model

Cited by in corpus (12)

• Maximally localized Wannier functions in LaMnO3 within PBE+U, hybrid functionals, and partially self-consistent GW: an efficient route to construct ab-initio tight-binding parameters for e_g perovskites
• Origin of Jahn-Teller distortion and orbital-order in LaMnO3
• Low-energy Mott-Hubbard excitations in LaMnO_3 probed by optical ellipsometry
• Two-step stabilization of orbital order and the dynamical frustration of spin in the model charge-transfer insulator KCuF3
• Charge density functional plus $U$ theory of LaMnO${}_3$: Phase diagram, electronic structure, and magnetic interaction
• Orbital-order melting in rare-earth manganites: the role of super-exchange
• Calculation of model Hamiltonian parameters for LaMnO_3 using maximally localized Wannier functions
• Direct observation of double exchange in ferromagnetic La${}_{0.7}$Sr${}_{0.3}$CoO${}_3$ by broadband ellipsometry
• Jahn-Teller distortions and the magnetic order in the perovskite manganites
• Quantum criticality and non-Fermi-liquid behavior in a two-level two-lead quantum dot
• Dynamical mean field theory for manganites
• Orbital ordering in undoped manganites via a generalized Peierls instability