Dilution effect in correlated electron system with orbital degeneracy

Theory of dilution effect in orbital ordered system is presented. The $e_g$ orbital model without spin degree of freedom and the spin-orbital coupled model in a three-dimensional simple-cubic lattice are analyzed by the Monte-Carlo simulation and the cluster expansion method. In the $e_g$ orbital model without spin degree of freedom, reduction of the orbital ordering temperature due to dilution is steeper than that in the dilute magnet. This is attributed to a modification of the orbital wave-function around vacant sites. In the spin-orbital coupled model, it is found that magnetic structure is changed from the A-type antiferromagnetic order into the ferromagnetic one. Orbital dependent exchange interaction and a sign change of this interaction around vacant sites bring about this novel phenomena. Present results explain the recent experiments in transition-metal compounds with orbital dilution.Comment: 12 pages, 16 figure

Photoinduced magnetic bound state in itinerant correlated electron system with spin-state degree of freedom

Photo-excited state in correlated electron system with spin-state degree of freedom is studied. We start from the two-orbital extended Hubbard model where energy difference between the two orbitals is introduced. Photo-excited metastable state is examined based on the effective model Hamiltonian derived by the two-orbital Hubbard model. Spin-state change is induced by photo-irradiation in the low-spin band insulator near the phase boundary. High-spin state is stabilized by creating a ferromagnetic bound state with photo-doped hole carriers. An optical absorption occurs between the bonding and antibonding orbitals inside of the bound state. Time-evolution for photo-excited states is simulated in the time-dependent mean-field scheme. Pair-annihilations of the photo-doped electron and hole generate the high-spin state in a low-spin band insulator. We propose that this process is directly observed by the time-resolved photoemission experiments.Comment: 15 pages, 16 figure

Spin-state transition and phase separation in multi-orbital Hubbard model

We study spin-state transition and phase separation involving this transition based on the milti-orbital Hubbard model. Multiple spin states are realized by changing the energy separation between the two orbitals and the on-site Hund coupling. By utilizing the variational Monte-Carlo simulation, we analyze the electronic and magnetic structures in hole doped and undoped states. Electronic phase separation occurs between the low-spin band insulating state and the high-spin ferromagnetic metallic one. Difference of the band widths in the two orbitals is of prime importance for the spin-state transition and the phase separation.Comment: 5 pages, 5 figure

Dilution Effects in Two-dimensional Quantum Orbital System

We study dilution effects in a Mott insulating state with quantum orbital degree of freedom, termed the two-dimensional orbital compass model. This is a quantum and two-dimensional version of the orbital model where the interactions along different bond directions cause frustration between different orbital configurations. A long-range correlation of a kind of orbital at each row or column, termed the directional order, is studied by means of the quantum Monte-Carlo method. It is shown that decrease of the ordering temperature due to dilution is much stronger than that in spin models. Quantum effect enhances the effective dimensionality in the system and makes the directional order robust against dilution. We discuss an essential mechanism of the dilute orbital systems.Comment: 5pages, 4 figure

Numerical study of t2g orbital system with ferromagnetic polarization

Finite temperature orbital state in a ferromagnetic Mott insulator with triply-degenerate $t_{2g}$ orbital is investigated numerically. We employ the quantum Monte Carlo simulation with the loop algorithm. Indications for conventional staggered-type orbital order are not remarkable down to the lowest temperature to which the present simulation can get access. Physical parameters monitoring the off-diagonal orbital order, which is characterized by a linear combination of the $(d_{yz}, d_{zx}, d_{xy})$ orbital-wave functions with equal weights, are not conspicuous. It is found that a orbital gap-like behavior appears in the uniform orbital susceptibility. This is supported by a threshold behavior in the staggered correlation function in a calculation with the additional Ising-type interaction. Some rigorous remarks for the long-range orbital order are also presented.Comment: 5 pages, 3 figure

Tcnq-based Porous Coordination Polymers Synthesis and Sorption Properties Study in Magnetic Field

Porous coordination polymers (PCPs) were synthesized with used TCNQ anion that acts as cross linker connecting and bipyridine to form a 3D framework. In these study, we use zinc and manganese metal ion as centre of complex coordination. Green crystal of Zn(TCNQ-TCNQ)bpy.1.5 benzene and Mn(TCNQ-TCNQ)bpy.1.5 benzene was successfully synthesized in no under magnetic field (0T) and under magnetic field 6T. XRD patterns of Zn(TCNQ-TCNQ)bpy.1.5 benzene 0T and 6T shown not significant different pattern that indicate no different crytal formed. XRD patterns of Mn(TCNQ-TCNQ)bpy.1.5 benzene also shown not significant different but we found five different intensity ratio peaks that possibility it was a little bit changing of crystal structure. To investigate the pores properties, adsorption isotherm was performe for oxygen gas in 77 K and the guest of benzene were removed at 413 K for 3 hours under low pressure. Zn(TCNQ-TCNQ)bpy}1.5benzene 0T and 6T oxygen adsorption isotherms shows the unique sorption isotherms by gate pressure profile. On other hand, Mn(TCNQ-TCNQ)bpy}1.5 benzene 0T and 6T shows type 1 adsorption isotherms for micropores materials. Adsorption isotherm was also determined in magnetic field 6T for all crystal, and shows shift of gate pressure for Zn compounds and enhance the amount of oxygen adsorbed for all kind of compounds

Asymptotic Learning Curve and Renormalizable Condition in Statistical Learning Theory

Bayes statistics and statistical physics have the common mathematical structure, where the log likelihood function corresponds to the random Hamiltonian. Recently, it was discovered that the asymptotic learning curves in Bayes estimation are subject to a universal law, even if the log likelihood function can not be approximated by any quadratic form. However, it is left unknown what mathematical property ensures such a universal law. In this paper, we define a renormalizable condition of the statistical estimation problem, and show that, under such a condition, the asymptotic learning curves are ensured to be subject to the universal law, even if the true distribution is unrealizable and singular for a statistical model. Also we study a nonrenormalizable case, in which the learning curves have the different asymptotic behaviors from the universal law

Theory of Orbital Ordering, Fluctuation and Resonant X-ray Scattering in Manganites

A theory of resonant x-ray scattering in perovskite manganites is developed by applying the group theory to the correlation functions of the pseudospin operators for the orbital degree of freedom. It is shown that static and dynamical informations of the orbital state are directly obtained from the elastic, diffuse and inelastic scatterings due to the tensor character of the scattering factor. We propose that the interaction and its anisotropy between orbitals are directly identified by the intensity contour of the diffuse scattering in the momentum space.Comment: 4 pages, 1 figur

Temperature dependence of the resistivity in the double-exchange model

The resistivity around the ferromagnetic transition temperature in the double exchange model is studied by the Schwinger boson approach. The spatial spin correlation responsible for scattering of conduction electrons are taken into account by adopting the memory function formalism. Although the correlation shows a peak lower than the transition temperature, the resistivity in the ferromagnetic state monotonically increases with increasing temperature due to a variation of the electronic state of the conduction electron. In the paramagnetic state, the resistivity is dominated by the short range correlation of scattering and is almost independent of the temperature. It is attributed to a cancellation between the nearest-neighbor spin correlation, the fermion bandwidth, and the fermion kinetic energy. This result implies the importance of the temperature dependence of the electronic states of the conduction electron as well as the localized spin states in both ferromagnetic and paramagnetic phases.Comment: RevTex, 4 pages, 4 PostScript figures, To appear in Phys. Rev.

Polarization Dependence of Anomalous X-ray Scattering in Orbital Ordered Manganites

In order to determine types of the orbital ordering in manganites, we study theoretically the polarization dependence of the anomalous X-ray scattering which is caused by the anisotropy of the scattering factor. The general formulae of the scattering intensity in the experimental optical system is derived and the atomic scattering factor is calculated in the microscopic electronic model. By using the results, the X-ray scattering intensity in several types of the orbital ordering is numerically calculated as a function of azimuthal and analyzer angles.Comment: 9 pages, 7 figure