Quantum Versus Jahn-Teller Orbital Physics in YVO3_3 and LaVO3_3

We argue that the large Jahn-Teller (JT) distortions in YVO$_3$ and LaVO$_3$ should suppress the quantum orbital fluctuation. The unusual magnetic properties can be well explained based on LDA+$U$ calculations using experimental structures, in terms of the JT orbital. The observed splitting of the spin-wave dispersions for YVO$_3$ in C-type antiferromagnetic state is attributed to the inequivalent VO$_2$ layers in the crystal structure, instead of the ``orbital Peierls state''. Alternative stacking of $ab$-plane exchange couplings produces the c-axis spin-wave splitting, thus the spin system is highly three dimensional rather than quasi-one-dimensional. Similar splitting is also predicted for LaVO$_3$, although it is weak.Comment: 4 pages, 2 tables, 2 figures, (accepted by PRL

Orbital Ordering and Spin-Ladder Formation in La2RuO5

The semiconductor-semiconductor transition of La2RuO5 is studied by means of augmented spherical wave (ASW) electronic structure calculations as based on density functional theory and the local density approximation. This transition has lately been reported to lead to orbital ordering and a quenching of the local spin magnetic moment. Our results hint towards an orbital ordering scenario which, markedly different from the previously proposed scheme, preserves the local S = 1 moment at the Ru sites in the low-temperature phase. The unusual magnetic behaviour is interpreted by the formation of spin-ladders, which result from the structural changes occurring at the transition and are characterized by antiferromagnetic coupling along the rungs.Comment: 5 pages, 4 figures, for more information see http://www.physik.uni-augsburg.de/~eyert

Current-driven orbital order-disorder transition in LaMnO3

We report significant influence of electric current on the orbital order-disorder transition in LaMnO3. The transition temperature T_OO, thermal hysteresis in the resistivity (rho) versus temperature (T) plot around T_OO, and latent heat L associated with the transition decrease with the increase in current density. Eventually, at a critical current density, L reaches zero. The transition zone, on the other hand, broadens with the increase in current density. The states at ordered, disordered, and transition zone are all found to be stable within the time window from ~10^-3 to ~10^4 seconds.Comment: 7 pages including 5 figures; resolution of Fig.1 is better here than the published versio

Multicolored quantum dimer models, resonating valence-bond states, color visons, and the triangular-lattice t_2g spin-orbital system

The spin-orbital model for triply degenerate t_2g electrons on a triangular lattice has been shown to be dominated by dimers: the phase diagram contains both strongly resonating, compound spin-orbital dimer states and quasi-static, spin-singlet valence-bond (VB) states. To elucidate the nature of the true ground state in these different regimes, the model is mapped to a number of quantum dimer models (QDMs), each of which has three dimer colors. The generic multicolored QDM, illustrated for the two- and three-color cases, possesses a topological color structure, "color vison" excitations, and broad regions of resonating VB phases. The specific models are analyzed to gain further insight into the likely ground states in the superexchange and direct-exchange limits of the electronic Hamiltonian, and suggest a strong tendency towards VB order in all cases.Comment: 16 pages, 12 figure

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

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

Orbital ordering in charge transfer insulators

We discuss a new mechanism of orbital ordering, which in charge transfer insulators is more important than the usual exchange interactions and which can make the very type of the ground state of a charge transfer insulator, i.e. its orbital and magnetic ordering, different from that of a Mott-Hubbard insulator. This purely electronic mechanism allows us to explain why orbitals in Jahn-Teller materials typically order at higher temperatures than spins, and to understand the type of orbital ordering in a number of materials, e.g. K_2CuF_4, without invoking the electron-lattice interaction.Comment: 4 pages, 2 figure

A Potts model for the distortion transition in LaMnO3_3

The Jahn-Teller distortive transition of \lmo is described by a modified 3-state Potts model. The interactions between the three possible orbits depends both on the orbits and their relative orientation on the lattice. Values of the two exchange parameters which are chosen to give the correct low temperature phase and the correct value for the transition temperature are shown to be consistent with microscopy theory. The model predicts a first order transitions and also a value for the entropy above the transition in good agreement with experiment. The theory with the same parameters also predicts the temperature dependence of the order parameter of orbital ordering agreeing well with published experimental results. Finally, the type of the transition is shown to be close to one of the most disordered phases of the generalised Potts model. The short range order found experimentally above the transition is investigated by this model.Comment: 16 pages, 7 figures and no tables. Re-submitted to Phys. Rev.

Low energy electronic states and triplet pairing in layered cobaltates

The structure of the low-energy electronic states in layered cobaltates is considered starting from the Mott insulating limit. We argue that the coherent part of the wave-functions and the Fermi-surface topology at low doping are strongly influenced by spin-orbit coupling of the correlated electrons on the $t_{2g}$ level. An effective t-J model based on mixed spin-orbital states is radically different from that for the cuprates, and supports unconventional, pseudospin-triplet pairing.Comment: 4 pages, 3 figure

Classical dimers and dimerized superstructure in orbitally degenerate honeycomb antiferromagnet

We discuss the ground state of the spin-orbital model for spin-one ions with partially filled $t_{2g}$ levels on a honeycomb lattice. We find that the orbital degrees of freedom induce a spontaneous dimerization of spins and drive them into nonmagnetic manifold spanned by hard-core dimer (spin-singlet) coverings of the lattice. The cooperative ``dimer Jahn-Teller'' effect is introduced through a magnetoelastic coupling and is shown to lift the orientational degeneracy of dimers leading to a peculiar valence bond crystal pattern. The present theory provides a theoretical explanation of nonmagnetic dimerized superstructure experimentally seen in Li$_2$RuO$_3$ compound at low temperatures.Comment: to appear in Phys. Rev. Let