Charge Fluctuations in Geometrically Frustrated Charge Ordering System

Effects of geometrical frustration in low-dimensional charge ordering systems are theoretically studied, mainly focusing on dynamical properties. We treat extended Hubbard models at quarter-filling, where the frustration arises from competing charge ordered patterns favored by different intersite Coulomb interactions, which are effective models for various charge transfer-type molecular conductors and transition metal oxides. Two different lattice structures are considered: (a) one-dimensional chain with intersite Coulomb interaction of nearest neighbor V_1 and that of next-nearest neighbor V_2, and (b) two-dimensional square lattice with V_1 along the squares and V_2 along one of the diagonals. From previous studies, charge ordered insulating states are known to be unstable in the frustrated region, i.e., V_1 \simeq 2V_2 for case (a) and V_1 \simeq V_2 for case (b), resulting in a robust metallic phase even when the interaction strenghs are strong. By applying the Lanczos exact diagonalization to finite-size clusters, we have found that fluctuations of different charge order patterns exist in the frustration-induced metallic phase, showing up as characteristic low energy modes in dynamical correlation functions. Comparison of such features between the two models are discussed, whose difference will be ascribed to the dimensionality effect. We also point out incommensurate correlation in the charge sector due to the frustration, found in one-dimensional clusters.Comment: 8 pages, 9 figure

High-Efficiency Resonant RF Spin Rotator with Broad Phase Space Acceptance for Pulsed Polarized Cold Neutron Beams

We have developed a radio-frequency resonant spin rotator to reverse the neutron polarization in a 9.5 cm x 9.5 cm pulsed cold neutron beam with high efficiency over a broad cold neutron energy range. The effect of the spin reversal by the rotator on the neutron beam phase space is compared qualitatively to RF neutron spin flippers based on adiabatic fast passage. The spin rotator does not change the kinetic energy of the neutrons and leaves the neutron beam phase space unchanged to high precision. We discuss the design of the spin rotator and describe two types of transmission-based neutron spin-flip efficiency measurements where the neutron beam was both polarized and analyzed by optically-polarized 3He neutron spin filters. The efficiency of the spin rotator was measured to be 98.0+/-0.8% on resonance for neutron energies from 3.3 to 18.4 meV over the full phase space of the beam. As an example of the application of this device to an experiment we describe the integration of the RF spin rotator into an apparatus to search for the small parity-violating asymmetry A_gamma in polarized cold neutron capture on para-hydrogen by the NPDGamma collaboration at LANSCE

Multi-Orbital Molecular Compound (TTM-TTP)I_3: Effective Model and Fragment Decomposition

The electronic structure of the molecular compound (TTM-TTP)I_3, which exhibits a peculiar intra-molecular charge ordering, has been studied using multi-configuration ab initio calculations. First we derive an effective Hubbard-type model based on the molecular orbitals (MOs) of TTM-TTP; we set up a two-orbital Hamiltonian for the two MOs near the Fermi energy and determine its full parameters: the transfer integrals, the Coulomb and exchange interactions. The tight-binding band structure obtained from these transfer integrals is consistent with the result of the direct band calculation based on density functional theory. Then, by decomposing the frontier MOs into two parts, i.e., fragments, we find that the stacked TTM-TTP molecules can be described by a two-leg ladder model, while the inter-fragment Coulomb energies are scaled to the inverse of their distances. This result indicates that the fragment picture that we proposed earlier [M.-L. Bonnet et al.: J. Chem. Phys. 132 (2010) 214705] successfully describes the low-energy properties of this compound.Comment: 5 pages, 4 figures, published versio

Singlet superfield extension of the minimal supersymmetric standard model with Peccei-Quinn symmetry and a light pseudoscalar Higgs boson at the LHC

Motivated by the mu-problem and the axion solution to the strong CP-problem, we extend the MSSM with one more chiral singlet field $X_e$. The underlying PQ-symmetry allows only one more term $X_e H_u H_d$ in the superpotential. The spectrum of the Higgs system includes a light pseudoscalar $a_X$ (in addition to the standard CP-even Higgs boson), predominantly decaying to two photons: $a_X \to \gamma \gamma$. Both Higgs bosons might be in the range accessible to current LHC experiments.Comment: 5 pages with 3 figure

Vehicular traffic flow at an intersection with the possibility of turning

We have developed a Nagel-Schreckenberg cellular automata model for describing of vehicular traffic flow at a single intersection. A set of traffic lights operating in fixed-time scheme controls the traffic flow. Open boundary condition is applied to the streets each of which conduct a uni-directional flow. Streets are single-lane and cars can turn upon reaching to the intersection with prescribed probabilities. Extensive Monte Carlo simulations are carried out to find the model flow characteristics. In particular, we investigate the flows dependence on the signalisation parameters, turning probabilities and input rates. It is shown that for each set of parameters, there exist a plateau region inside which the total outflow from the intersection remains almost constant. We also compute total waiting time of vehicles per cycle behind red lights for various control parameters.Comment: 8 pages, 17 eps figures, Late

Finite-temperature phase transitions in quasi-one-dimensional molecular conductors

Phase transitions in 1/4-filled quasi-one-dimensional molecular conductors are studied theoretically on the basis of extended Hubbard chains including electron-lattice interactions coupled by interchain Coulomb repulsion. We apply the numerical quantum transfer-matrix method to an effective one-dimensional model, treating the interchain term within mean-field approximation. Finite-temperature properties are investigated for the charge ordering, the "dimer Mott" transition (bond dimerization), and the spin-Peierls transition (bond tetramerization). A coexistent state of charge order and bond dimerization exhibiting dielectricity is predicted in a certain parameter range, even when intrinsic dimerization is absent.Comment: to be published in J. Phys. Soc. Jpn., Vol. 76 (2007) No. 1 (5 pages, 4 figures); typo correcte

Relative Yields and Nutritive Value of Whole Crop Rice Harvested on Four Successive Dates for Forage in Korea

About four million tons of forages are fed to ruminants in Korea, but half of them rely on rice straw as roughage and 0.6 million tons of forage was imported. The lack of forage results in increased imports of concentrate feeds and increased production cost. Now, Korea has about 1.1 million ha of rice fields, but as a consequence of world trade negotiation, Korea will open the rice market from next year. It is expected that due to aging farmers and lower rice price, about 0.2 million ha of paddy field will not be cultivated for grain rice. Therefore, we suggest that whole-crop rice cultivation for feeding beef and dairy cattle. The purpose of this study was to investigate relative yield and nutritive value of whole-crop rice grown in paddy fields in Korea

Magnetoresistance in Mn pyrochlore: electrical transport in a low carrier density ferromagnet

We discuss magnetotransport in a low density electron gas coupled to spin fluctuations near and above a ferromagnetic transition. Provided the density is low enough ($n \lesssim 1/\xi^{3}(T)$, with $\xi(T)$ the ferromagnetic correlation length), spin polarons form in an intermediate temperature regime above $T_c$. Both in the spin polaron regime, and in the itinerant regime nearer $T_c$, the magnetoresistance is large. We propose that this provides a good model for ``colossal'' magnetoresistance in the pyrochlore Tl$_{2-x}$Sc$_x$Mn$_2$O$_7$, fundamentally different from the mechanism in the perovskite manganites such as La$_{1-x}$Sr$_x$MnO$_3$.Comment: 4 pages, LaTex, + 3 figure

Phase Structure of a Brane/Anti-Brane System at Large N

We further analyze a class of recently studied metastable string vacua obtained by wrapping D5-branes and anti-D5-branes over rigid homologous S^2's of a non-compact Calabi-Yau threefold. The large N dual description is characterized by a potential for the glueball fields which is determined by an auxiliary matrix model. The higher order corrections to this potential produce a suprisingly rich phase structure. In particular, at sufficiently large 't Hooft coupling the metastable vacua present at weak coupling cease to exist. This instability can already be seen by an open string two loop contribution to the glueball potential. The glueball potential also lifts some of the degeneracy in the vacua characterized by the phases of the glueball fields. This generates an exactly computable non-vanishing axion potential at large N.Comment: v3: 55 pages, 11 figures, typos correcte

Scaffold-Based [Fe]-Hydrogenase Model: H\u3csub\u3e2\u3c/sub\u3e Activation Initiates Fe(0)-Hydride Extrusion and Non-Biomimetic Hydride Transfer

We report the synthesis and reactivity of a model of [Fe]-hydrogenase derived from an anthracene-based scaffold that includes the endogenous, organometallic acyl(methylene) donor. In comparison to other non-scaffolded acyl-containing complexes, the complex described herein retains molecularly well-defined chemistry upon addition of multiple equivalents of exogenous base. Clean deprotonation of the acyl(methylene) C-H bond with a phenolate base results in the formation of a dimeric motif that contains a new Fe-C(methine) bond resulting from coordination of the deprotonated methylene unit to an adjacent iron center. This effective second carbanion in the ligand framework was demonstrated to drive heterolytic H2 activation across the Fe(ii) center. However, this process results in reductive elimination and liberation of the ligand to extrude a lower-valent Fe-carbonyl complex. Through a series of isotopic labelling experiments, structural characterization (XRD, XAS), and spectroscopic characterization (IR, NMR, EXAFS), a mechanistic pathway is presented for H2/hydride-induced loss of the organometallic acyl unit (i.e. pyCH2-CO → pyCH3+CO). The known reduced hydride species [HFe(CO)4]– and [HFe3(CO)11]– have been observed as products by 1H/2H NMR and IR spectroscopies, as well as independent syntheses of PNP[HFe(CO)4]. The former species (i.e. [HFe(CO)4]–) is deduced to be the actual hydride transfer agent in the hydride transfer reaction (nominally catalyzed by the title compound) to a biomimetic substrate ([TolIm](BArF) = fluorinated imidazolium as hydride acceptor). This work provides mechanistic insight into the reasons for lack of functional biomimetic behavior (hydride transfer) in acyl(methylene)pyridine based mimics of [Fe]-hydrogenase