Jahn-Teller distortions and phase separation in doped manganites

A "minimal model" of the Kondo-lattice type is used to describe a competition between the localization and metallicity in doped manganites and related magnetic oxides with Jahn-Teller ions. It is shown that the number of itinerant charge carriers can be significantly lower than that implied by the doping level x. A strong tendency to the phase separation is demonstrated for a wide range of intermediate doping concentrations vanishing at low and high doping. The phase diagram of the model in the x-T plane is constructed. At low temperatures, the system is in a state with a long-range magnetic order: antiferromagnetic (AF), ferromagnetic (FM), or AF-FM phase separated (PS) state. At high temperatures, there can exist two types of the paramagnetic (PM) state with zero and nonzero density of the itinerant electrons. In the intermediate temperature range, the phase diagram includes different kinds of the PS states: AF-FM, FM-PM, and PM with different content of itinerant electrons. The applied magnetic field changes the phase diagram favoring the FM ordering. It is shown that the variation of temperature or magnetic field can induce the metal-insulator transition in a certain range of doping levels.Comment: 14 pages, 7 figures, submitted to Phys. Rev. B.; v.2 contains the changes introduced according to comments of the PRB Referees; in v. 3, some misprints are correcte

Spontaneous Currents in Spinless Fermion Lattice Models at the Strong-Coupling Limit

What kind of lattice Hamiltonian manifestly has an ordered state with spontaneous orbital currents? We consider interacting spinless fermions on an array of square plaquettes, connected by weak hopping; the array geometry may be a 2 x 2L ladder, a 2 x 2 x 2L "tube", or a 2L x 2L square grid. At half filling, we derive an effective Hamiltonian in terms of pseudospins, of which one component represents orbital currents, and find the conditions sufficient for orbital current long-range order. We consider spinfull variants of the aforesaid spinless models and make contact with other spinfull models in the literature purported to possess spontaneous currents.Comment: added two new references following recent communicatio

The evolution with temperature of magnetic polaron state in an antiferromagnetic chain with impurities

The thermal behavior of a one-dimensional antiferromagnetic chain doped by donor impurities was analyzed. The ground state of such a chain corresponds to the formation of a set of ferromagnetically correlated regions localized near impurities (bound magnetic polarons). At finite temperatures, the magnetic structure of the chain was calculated simultaneously with the wave function of a conduction electron bound by an impurity. The calculations were performed using an approximate variational method and a Monte Carlo simulation. Both these methods give similar results. The analysis of the temperature dependence of correlation functions for neighboring local spins demonstrated that the ferromagnetic correlations inside a magnetic polaron remain significant even above the N\'eel temperature $T_N$ implying rather high stability of the magnetic polaron state. In the case when the electron-impurity coupling energy $V$ is not too high (for $V$ lower that the electron hopping integral $t$), the magnetic polaron could be depinned from impurity retaining its magnetic structure. Such a depinning occurs at temperatures of the order of $T_N$. At even higher temperatures ($T \sim t$) magnetic polarons disappear and the chain becomes completely disordered.Comment: 17 pages, 5 figures, RevTe

Elementary excitations of the symmetric spin-orbital model: The XY limit

The elementary excitations of the 1D, symmetric, spin-orbital model are investigated by studying two anisotropic versions of the model, the pure XY and the dimerized XXZ case, with analytical and numerical methods. While they preserve the symmetry between spin and orbital degrees of freedom, these models allow for a simple and transparent picture of the low--lying excitations: In the pure XY case, a phase separation takes place between two phases with free--fermion like, gapless excitations, while in the dimerized case, the low-energy effective Hamiltonian reduces to the 1D Ising model with gapped excitations. In both cases, all the elementary excitations involve simultaneous flips of the spin and orbital degrees of freedom, a clear indication of the breakdown of the traditional mean-field theory.Comment: Revtex, two figure

Effect of electron-lattice interaction on the phase separation in strongly correlated electron systems with two types of charge carriers

The effect of electron-lattice interaction is studied for a strongly correlated electron system described by the two-band Hubbard model. A two-fold effect of electron-lattice interaction is taken into account: in non-diagonal terms, it changes the effective bandwidth, whereas in diagonal terms, it shifts the positions of the bands and the chemical potential. It is shown that this interaction significantly affects the doping range corresponding to the electronic phase separation and can even lead to a jump-like transition between states with different values of strains.Comment: 6 pages, 7 figures, submitted to Phys. Rev.

Thermodynamics of the one-dimensional SU(4) symmetric spin-orbital model

The ground state properties and the thermodynamics of the one-dimensional SU(4) symmetric spin system with orbital degeneracy are investigated using the quantum Monte Carlo loop algorithm. The spin-spin correlation functions exhibit a 4-site periodicity, and their low temperature behavior is controlled by two correlation lengths that diverge like the inverse temperature, while the entropy is linear in temperature and its slope is consistent with three gapless modes of velocity $\pi/2$. The physical implications of these results are discussed.Comment: 4 pages, 4 figures, RevTe

Origin of Jahn-Teller distortion and orbital-order in LaMnO3

The origin of the cooperative Jahn-Teller distortion and orbital-order in LaMnO3 is central to the physics of the manganites. The question is complicated by the simultaneous presence of tetragonal and GdFeO3-type distortions and the strong Hund's rule coupling between e_g and t_2g electrons. To clarify the situation we calculate the transition temperature for the Kugel-Khomskii superexchange mechanism by using the local density approximation+dynamical mean-field method, and disentangle the effects of super-exchange from those of lattice distortions. We find that super-exchange alone would yield T_KK=650 K. The tetragonal and GdFeO3-type distortions, however, reduce T_KK to 550 K. Thus electron-phonon coupling is essential to explain the persistence of local Jahn-Teller distortions to at least 1150 K and to reproduce the occupied orbital deduced from neutron scattering.Comment: 4 pages, 3 figures; published version (minor changes