Correlation effects and orbital magnetism of Co clusters

Recent experiments on isolated Co clusters have shown huge orbital magnetic moments in comparison with their bulk and surface counterparts. These clusters hence provide the unique possibility to study the evolution of the orbital magnetic moment with respect to the cluster size and how competing interactions contribute to the quenching of orbital magnetism. We investigate here different theoretical methods to calculate the spin and orbital moments of Co clusters, and assess the performances of the methods in comparison with experiments. It is shown that density functional theory in conventional local density or generalized gradient approximations, or even with a hybrid functional, severely underestimates the orbital moment. As natural extensions/corrections we considered the orbital polarization correction, the LDA+U approximation as well as the LDA+DMFT method. Our theory shows that of the considered methods, only the LDA+DMFT method provides orbital moments in agreement with experiment, thus emphasizing the importance of dynamic correlations effects for determining fundamental magnetic properties of magnets in the nano-size regime

Orbital Wave and its Observation in Orbital Ordered Titanates and Vanadates

We present a theory of the collective orbital excitation termed orbital wave in perovskite titanates and vanadates with the triply degenerate $t_{2g}$ orbitals. The dispersion relations of the orbital waves for the orbital ordered LaVO$_3$, YVO$_3$ and YTiO$_3$ are examined in the effective spin-orbital coupled Hamiltonians associated with the Jahn-Teller type couplings. We propose possible scattering processes for the Raman and inelastic neutron scatterings from the orbital wave and calculate the scattering spectra for titanates and vanadates. It is found that both the excitation spectra and the observation methods of the orbital wave are distinct qualitatively from those for the $e_g$ orbital ordered systems.Comment: 9 pages, 7 figure

Orbital-Peierls State in NaTiSi2O6

Does the quasi one-dimensional titanium pyroxene NaTiSi2O6 exhibit the novel {\it orbital-Peierls} state? We calculate its groundstate properties by three methods: Monte Carlo simulations, a spin-orbital decoupling scheme and a mapping onto a classical model. The results show univocally that for the spin and orbital ordering to occur at the same temperature --an experimental observation-- the crystal field needs to be small and the orbitals are active. We also find that quantum fluctuations in the spin-orbital sector drive the transition, explaining why canonical bandstructure methods fail to find it. The conclusion that NaTiSi2O6 shows an orbital-Peierls transition is therefore inevitable.Comment: 4 pages, 3 figure

Quantitative measurement of orbital angular momentum in electron microscopy

Electron vortex beams have been predicted to enable atomic scale magnetic information measurement, via transfer of orbital angular momentum. Research so far has focussed on developing production techniques and applications of these beams. However, methods to measure the outgoing orbital angular momentum distribution are also a crucial requirement towards this goal. Here, we use a method to obtain the orbital angular momentum decomposition of an electron beam, using a multi-pinhole interferometer. We demonstrate both its ability to accurately measure orbital angular momentum distribution, and its experimental limitations when used in a transmission electron microscope.Comment: 6 pages, 5 figure

Recent developments in the method of different orbitals for different spins

Alternate molecular orbital and nonpaired spatial orbital methods compared for conjugate organic compound

Multipole correlations of t2gt_{\rm 2g}-orbital Hubbard model with spin-orbit coupling

We investigate the ground-state properties of a one-dimensional $t_{\rm 2g}$-orbital Hubbard model including an atomic spin-orbit coupling by using numerical methods, such as Lanczos diagonalization and density-matrix renormalization group. As the spin-orbit coupling increases, we find a ground-state transition from a paramegnetic state to a ferromagnetic state. In the ferromagnetic state, since the spin-orbit coupling mixes spin and orbital states with complex number coefficients, an antiferro-orbital state with complex orbitals appears. According to the appearance of the complex orbital state, we observe an enhancement of $\Gamma_{4u}$ octupole correlations.Comment: 3 pages, 3 figures, To appear in J. Phys. Soc. Jpn. Suppl., Proceedings of ICHE2010 (September 17-20, 2010, Hachioji, Japan

Orbital multicriticality in spin gapped quasi-1D antiferromagnets

Motivated by the quasi-1D antiferromagnet CaV$_2$O$_4$, we explore spin-orbital systems in which the spin modes are gapped but orbitals are near a macroscopically degenerate classical transition. Within a simplified model we show that gapless orbital liquid phases possessing power-law correlations may occur without the strict condition of a continuous orbital symmetry. For the model proposed for CaV$_2$O$_4$, we find that an orbital phase with coexisting order parameters emerges from a multicritical point. The effective orbital model consists of zigzag-coupled transverse field Ising chains. The corresponding global phase diagram is constructed using field theory methods and analyzed near the multicritical point with the aid of an exact solution of a zigzag XXZ model.Comment: 9 page