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

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

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

Magnetic polarons in doped 1D antiferromagnetic chain

The structure of magnetic polarons (ferrons) is studied for an 1D antiferromagnetic chain doped by non-magnetic donor impurities. The conduction electrons are assumed to be bound by the impurities. Such a chain can be described as a set of ferrons at the antiferromagnetic background. We found that two types of ferrons can exist in the system. The ground state of the chain corresponds to the ferrons with the sizes of the order of the localization length of the electron near the impurity. The ferrons of the second type produce a more extended distortion of spins in the chain. They are stable within a finite domain of the system parameters and can be treated as excitations above the ground state. The ferrons in the excited states can appear in pairs only. The energy of the excited states decreases with the growth in density of impurities. This can be interpreted as a manifestation of an attractive interaction between ferrons.Comment: 6 pages, 5 figures, RevTex4, submitted to PR

A Quantum Monte Carlo Method and Its Applications to Multi-Orbital Hubbard Models

We present a framework of an auxiliary field quantum Monte Carlo (QMC) method for multi-orbital Hubbard models. Our formulation can be applied to a Hamiltonian which includes terms for on-site Coulomb interaction for both intra- and inter-orbitals, intra-site exchange interaction and energy differences between orbitals. Based on our framework, we point out possible ways to investigate various phase transitions such as metal-insulator, magnetic and orbital order-disorder transitions without the minus sign problem. As an application, a two-band model is investigated by the projection QMC method and the ground state properties of this model are presented.Comment: 10 pages LaTeX including 2 PS figures, to appear in J.Phys.Soc.Jp

Planar spin exchange in LiNiO_2

We study the planar spin exchange couplings in LiNiO2 using a perturbative approach. We show that the inclusion of the trigonal crystal field splitting at the Oxygen sites leads to the appearance of antiferromagnetic exchange integrals in deviation from the Goodenough-Kanamori-Anderson rules for this 90 degree bond. That gives a microscopic foundation for the recently observed coexistence of ferromagnetic and antiferromagnetic couplings in the orbitally-frustrated state of LiNiO2. (F. Reynaud et al, Phys. Rev. Lett. 86, 3638 (2001))Comment: latex, revtex4, 6 pages, 3 figure

Double-exchange via degenerate orbitals

We consider the double-exchange for systems in which doped electrons occupy degenerate orbitals, treating the realistic situation with double degenerate $e_g$ orbitals. We show that the orbital degeneracy leads in general to formation of anisotropic magnetic structures and that in particular, depending on the doping concentration, the layered magnetic structures of the A-type and chain-like structures of the C-type are stabilized. The phase-diagram that we obtain provides an explanation for the experimentally observed magnetic structures of some over-doped (electron-doped) manganites of the type Nd$_{1-x}$Sr$_x$MnO$_3$, Pr$_{1-x}$Sr$_x$MnO$_3$ and Sm$_{1-x}$Ca$_x$MnO$_3$ with $x > 0.5$.Comment: 4 pages, 1 figur

GRB 110205A: Anatomy of a long gamma-ray burst

The Swift burst GRB 110205A was a very bright burst visible in the Northern hemisphere. GRB 110205A was intrinsically long and very energetic and it occurred in a low-density interstellar medium environment, leading to delayed afterglow emission and a clear temporal separation of the main emitting components: prompt emission, reverse shock, and forward shock. Our observations show several remarkable features of GRB 110205A : the detection of prompt optical emission strongly correlated with the BAT light curve, with no temporal lag between the two ; the absence of correlation of the X-ray emission compared to the optical and high energy gamma-ray ones during the prompt phase ; and a large optical re-brightening after the end of the prompt phase, that we interpret as a signature of the reverse shock. Beyond the pedagogical value offered by the excellent multi-wavelength coverage of a GRB with temporally separated radiating components, we discuss several questions raised by our observations: the nature of the prompt optical emission and the spectral evolution of the prompt emission at high-energies (from 0.5 keV to 150 keV) ; the origin of an X-ray flare at the beginning of the forward shock; and the modeling of the afterglow, including the reverse shock, in the framework of the classical fireball model.Comment: 21 pages, 5 figure (all in colors), accepted for publication in Ap

Peierls-like transition induced by frustration in a two-dimensional antiferromagnet

We show that the introduction of frustration into the spin-1/2 two-dimensional (2D) antiferromagnetic Heisenberg model on a square lattice via a next-nearest neighbor exchange interaction can lead to a Peierls-like transition, from a tetragonal to an orthorhombic phase, when the spins are coupled to adiabatic phonons. The two different orthorhombic ground states define an Ising order parameter, which is expected to lead to a finite temperature transition. Implications for ${\rm Li_2VOSiO_4}$, the first realization of that model, will be discussed.Comment: 4 pages, to be published on Physical Review Letter

Orbital order in classical models of transition-metal compounds

We study the classical 120-degree and related orbital models. These are the classical limits of quantum models which describe the interactions among orbitals of transition-metal compounds. We demonstrate that at low temperatures these models exhibit a long-range order which arises via an "order by disorder" mechanism. This strongly indicates that there is orbital ordering in the quantum version of these models, notwithstanding recent rigorous results on the absence of spin order in these systems.Comment: 7 pages, 1 eps fi