Quantum disorder versus order-out-of-disorder in the Kugel-Khomskii model

The Kugel-Khomskii model, the simplest model for orbital degenerate magnetic insulators, exhibits a zero temperature degeneracy in the classical limit which could cause genuine quantum disorder. Khaliullin and Oudovenko [Phys. Rev. B 56, R14 243 (1997)] suggested recently that instead a particular classical state could be stabilized by quantum fluctuations. Here we compare their approach with standard random phase approximation and show that it strongly underestimates the strength of the quantum fluctuations, shedding doubts on the survival of any classical state.Comment: 4 pages, ReVTeX, 4 figure

Spin and orbital excitation spectrum in the Kugel-Khomskii model

We discuss spin and orbital ordering in the twofold orbital degenerate superexchange model in three dimensions relevant to perovskite transition metal oxides. We focus on the particular point on the classical phase diagram where orbital degeneracy is lifted by quantum effects exclusively. Dispersion and damping of the spin and orbital excitations are calculated at this point taking into account their mutual interaction. Interaction corrections to the mean-field order parameters are found to be small. We conclude that quasi-one-dimensional Neel spin order accompanied by the uniform d_{3z^2-r^2}-type orbital ordering is stable against quantum fluctuations.Comment: 4 pages with 3 PS figures, 1 table, RevTeX, accepted to Phys. Rev. B. Rapid Communicatio

Non-perturbative corrections to mean-field behavior: spherical model on spider-web graph

We consider the spherical model on a spider-web graph. This graph is effectively infinite-dimensional, similar to the Bethe lattice, but has loops. We show that these lead to non-trivial corrections to the simple mean-field behavior. We first determine all normal modes of the coupled springs problem on this graph, using its large symmetry group. In the thermodynamic limit, the spectrum is a set of $\delta$-functions, and all the modes are localized. The fractional number of modes with frequency less than $\omega$ varies as $\exp (-C/\omega)$ for $\omega$ tending to zero, where $C$ is a constant. For an unbiased random walk on the vertices of this graph, this implies that the probability of return to the origin at time $t$ varies as $\exp(- C' t^{1/3})$, for large $t$, where $C'$ is a constant. For the spherical model, we show that while the critical exponents take the values expected from the mean-field theory, the free-energy per site at temperature $T$, near and above the critical temperature $T_c$, also has an essential singularity of the type $\exp[ -K {(T - T_c)}^{-1/2}]$.Comment: substantially revised, a section adde

Spin-Orbital Entanglement and Violation of the Goodenough-Kanamori Rules

We point out that large composite spin-orbital fluctuations in Mott insulators with $t_{2g}$ orbital degeneracy are a manifestation of quantum entanglement of spin and orbital variables. This results in a dynamical nature of the spin superexchange interactions, which fluctuate over positive and negative values, and leads to an apparent violation of the Goodenough-Kanamori rules. [{\it Published in Phys. Rev. Lett. {\bf 96}, 147205 (2006).}]Comment: 4 pages, 2 figure

Orbital order out of spin disorder: How to measure the orbital gap

The interplay between spin and orbital degrees of freedom in the Mott-Hubbard insulator is studied by considering an orbitally degenerate superexchange model. We argue that orbital order and the orbital excitation gap in this model are generated through the order-from-disorder mechanism known previously from frustrated spin models. We propose that the orbital gap should show up indirectly in the dynamical spin structure factor; it can therefore be measured using the conventional inelastic neutron scattering method

Damped orbital excitations in the titanates

A possible mechanism for the removal of the orbital degeneracy in RTiO3 (where R=La, Y, ...) is considered. The calculation is based on the Kugel-Khomskii Hamiltonian for electrons residing in the t2g orbitals of the Ti ions, and uses a self-consistent pe rturbation expansion in the interaction between the orbital and the spin degrees of freedom. The latter are assumed to be ordered in a Neel state, brought about by delicate interactions that are not included in the Kugel-Khomskii Hamiltonian. Within our model calculations, each of the t2g bands is found to acquire a finite, temperature-dependent dispersion, that lifts the orbital degeneracy. The orbital excitations are found to be heavily damped over a rather wide band. Consequently, they do not participate as a separate branch of excitations in the low-temperature thermodynamics.eComment: 6 pages, 3 figure

Order from disorder: Quantum spin gap in magnon spectra of LaTiO_3

A theory of the anisotropic superexchange and low energy spin excitations in a Mott insulator with t_{2g} orbital degeneracy is presented. We observe that the spin-orbit coupling induces frustrating Ising-like anisotropy terms in the spin Hamiltonian, which invalidate noninteracting spin wave theory. The frustration of classical states is resolved by an order from disorder mechanism, which selects a particular direction of the staggered moment and generates a quantum spin gap. The theory explains well the observed magnon gaps in LaTiO_3. As a test case, a specific prediction is made on the splitting of magnon branches at certain momentum directions.Comment: 5 pages, 2 figures, final versio

Orbital liquid in three dimensional Mott insulator: LaTiO3LaTiO_3

We present a theory of spin and orbital states in Mott insulator $LaTiO_3$. The spin-orbital superexchange interaction between $d^1(t_{2g})$ ions in cubic crystal suffers from a pathological degeneracy of orbital states at classical level. Quantum effects remove this degeneracy and result in the formation of the coherent ground state, in which the orbital moment of $t_{2g}$ level is fully quenched. We find a finite gap for orbital excitations. Such a disordered state of local degrees of freedom on unfrustrated, simple cubic lattice is highly unusual. Orbital liquid state naturally explains observed anomalies of $LaTiO_3$.Comment: 5 pages, 3 figure

Orbital dynamics in ferromagnetic transition metal oxides

We consider a model of strongly correlated $e_g$ electrons interacting by superexchange orbital interactions in the ferromagnetic phase of LaMnO$_3$. It is found that the classical orbital order with alternating occupied $e_g$ orbitals has a full rotational symmetry at orbital degeneracy, and the excitation spectrum derived using the linear spin-wave theory is gapless. The quantum (fluctuation) corrections to the order parameter and to the ground state energy restore the cubic symmetry of the model. By applying a uniaxial pressure orbital degeneracy is lifted in a tetragonal field and one finds an orbital-flop phase with a gap in the excitation spectrum. In two dimensions the classical order is more robust near the orbital degeneracy point and quantum effects are suppressed. The orbital excitation spectra obtained using finite temperature diagonalization of two-dimensional clusters consist of a quasiparticle accompanied by satellite structures. The orbital waves found within the linear spin-wave theory provide an excellent description of the dominant pole of these spectra.Comment: 13 pages, 12 figures, to appear in Phys. Rev.

Microscopic modelling of doped manganites

Colossal magneto-resistance manganites are characterised by a complex interplay of charge, spin, orbital and lattice degrees of freedom. Formulating microscopic models for these compounds aims at meeting to conflicting objectives: sufficient simplification without excessive restrictions on the phase space. We give a detailed introduction to the electronic structure of manganites and derive a microscopic model for their low energy physics. Focussing on short range electron-lattice and spin-orbital correlations we supplement the modelling with numerical simulations.Comment: 20 pages, 10 figs, accepted for publ. in New J. Phys., Focus issue on Orbital Physic