Spin, charge, and orbital correlations in the one-dimensional t2g-orbital Hubbard model

We present the zero-temperature phase diagram of the one-dimensional t2g-orbital Hubbard model, obtained using the density-matrix renormalization group and Lanczos techniques. Emphasis is given to the case for the electron density n=5 corresponding to five electrons per site, of relevance for some Co-based compounds. However, several other cases for electron densities between n=3 and 6 are also studied. At n=5, our results indicate a first-order transition between a paramagnetic (PM) insulator phase and a fully-polarized ferromagnetic (FM) state by tuning the Hund's coupling. The results also suggest a transition from the n=5 PM insulator phase to a metallic regime by changing the electron density, either via hole or electron doping. The behavior of the spin, charge, and orbital correlation functions in the FM and PM states are also described in the text and discussed. The robustness of these two states varying parameters suggests that they may be of relevance in more realistic higher dimensional systems as well.Comment: 9 pages, 8 figure

Antiferro-quadrupole state of orbital-degenerate Kondo lattice model with f^2 configuration

To clarify a key role of $f$ orbitals in the emergence of antiferro-quadrupole structure in PrPb$_{3}$, we investigate the ground-state property of an orbital-degenerate Kondo lattice model by numerical diagonalization techniques. In PrPb$_{3}$, Pr$^{3+}$ has a $4f^{2}$ configuration and the crystalline-electric-field ground state is a non-Kramers doublet $\Gamma_{3}$. In a $j$-$j$ coupling scheme, the $\Gamma_{3}$ state is described by two local singlets, each of which consists of two $f$ electrons with one in $\Gamma_{7}$ and another in $\Gamma_{8}$ orbitals. Since in a cubic structure, $\Gamma_{7}$ has localized nature, while $\Gamma_{8}$ orbitals are rather itinerant, we propose the orbital-degenerate Kondo lattice model for an effective Hamiltonian of PrPb$_{3}$. We show that an antiferro-orbital state is favored by the so-called double-exchange mechanism which is characteristic of multi-orbital systems.Comment: 3 pages, 3 figures, Proceedings of Skutterudite2007 (September 26-30, 2007, Kobe

Structure and apparent topography of TiO2 (110) surfaces

We present self-consistent ab-initio total-energy and electronic-structure calculations on stoichiometric and non-stoichiometric TiO2 (110) surfaces. Scanning tunneling microscopy (STM) topographs are simulated by calculating the local electronic density of states over an energy window appropriate for the experimental positive-bias conditions. We find that under these conditions the STM tends to image the undercoordinated Ti atoms, in spite of the physical protrusion of the O atoms, giving an apparent reversal of topographic contrast on the stoichiometric 1x1 or missing-row 2x1 surface. We also show that both the interpretation of STM images and the direct comparison of surface energies favor an added-row structure over the missing-row structure for the oxygen-deficient 2x1 surface.Comment: 6 pages, two-column style with 5 postscript figures embedded. Uses REVTEX and epsf macros. Also available at http://www.physics.rutgers.edu/~dhv/preprints/index.html#ng_tio

The Dynamical State fo the Starless Dense Core FeSt 1-457: A Pulsating Globule?

High resolution molecular line observations of CS, HCO+, C18O and N2H+ were obtained toward the starless globule FeSt 1-457 in order to investigate its kinematics and chemistry. The HCO+ and CS spectra show clear self-reversed and asymmetric profiles across the face of the globule. The sense of the observed asymmetry is indicative of the global presence of expansion motions in the outer layers of the globule. These motions appear to be subsonic and significantly below the escape velocity of the globule. Comparison of our observations with near-infrared extinction data indicate that the globule is gravitationally bound. Taken together these considerations lead us to suggest that the observed expansion has its origin in an oscillatory motion of the outer layers of the globule which itself is likely in a quasi-stable state near hydrostatic equilibrium. Analysis of the observed linewidths of CO and N2H+ confirm that thermal pressure is the dominant component of the cloud's internal support. A simple calculation suggests that the dominant mode of pulsation would be an l = 2 mode with a period of 0.3 Myr. Deformation of the globule due to the large amplitude l = 2 oscillation may be responsible for the double-peaked structure of the core detected in high resolution extinction maps. Detailed comparison of the molecular-line observations and extinction data provides evidence for significant depletion of C18O and perhaps HCO+ while N2H+ may be undepleted to a cloud depth of about 40 magnitudes of visual extinction.Comment: to appear in ApJ vol 665 20 August 2007

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

Effective Crystalline Electric Field Potential in a j-j Coupling Scheme

We propose an effective model on the basis of a $j$-$j$ coupling scheme to describe local $f$-electron states for realistic values of Coulomb interaction $U$ and spin-orbit coupling $\lambda$, for future development of microscopic theory of magnetism and superconductivity in $f^n$-electron systems, where $n$ is the number of local $f$ electrons. The effective model is systematically constructed by including the effect of a crystalline electric field (CEF) potential in the perturbation expansion in terms of $1/\lambda$. In this paper, we collect all the terms up to the first order of $1/\lambda$. Solving the effective model, we show the results of the CEF states for each case of $n$=2$\sim$5 with $O_{\rm h}$ symmetry in comparison with those of the Stevens Hamiltonian for the weak CEF. In particular, we carefully discuss the CEF energy levels in an intermediate coupling region with $\lambda/U$ in the order of 0.1 corresponding to actual $f$-electron materials between the $LS$ and $j$-$j$ coupling schemes. Note that the relevant energy scale of $U$ is the Hund's rule interaction. It is found that the CEF energy levels in the intermediate coupling region can be quantitatively reproduced by our modified $j$-$j$ coupling scheme, when we correctly take into account the corrections in the order of $1/\lambda$ in addition to the CEF terms and Coulomb interactions which remain in the limit of $\lambda$=$\infty$. As an application of the modified $j$-$j$ coupling scheme, we discuss the CEF energy levels of filled skutterudites with $T_{\rm h}$ symmetry.Comment: 12 pages, 7 figures. Typeset with jpsj2.cl

On the disappearance of a cold molecular torus around the low-luminosity active galactic nucleus of NGC 1097

We used the Atacama Large Millimeter/submillimeter Array (ALMA) to map the CO(3-2) and the underlying continuum emissions around the type 1 low-luminosity active galactic nucleus (LLAGN; bolometric luminosity $\lesssim 10^{42}$ erg~s$^{-1}$) of NGC 1097 at $\sim 10$ pc resolution. These observations revealed a detailed cold gas distribution within a $\sim 100$ pc of this LLAGN. In contrast to the luminous Seyfert galaxy NGC 1068, where a $\sim 7$ pc cold molecular torus was recently revealed, a distinctively dense and compact torus is missing in our CO(3-2) integrated intensity map of NGC 1097. Based on the CO(3-2) flux, the gas mass of the torus of NGC 1097 would be a factor of $\gtrsim 2-3$ less than that found for NGC 1068 by using the same CO-to-H$_2$ conversion factor, which implies less active nuclear star formation and/or inflows in NGC 1097. Our dynamical modeling of the CO(3-2) velocity field implies that the cold molecular gas is concentrated in a thin layer as compared to the hot gas traced by the 2.12 $\mu$m H$_2$ emission in and around the torus. Furthermore, we suggest that NGC 1097 hosts a geometrically thinner torus than NGC 1068. Although the physical origin of the torus thickness remains unclear, our observations support a theoretical prediction that geometrically thick tori with high opacity will become deficient as AGNs evolve from luminous Seyferts to LLAGNs.Comment: 9 pages, 5 figures. Accepted for publication in ApJ

Local magnetic structure due to inhomogeneity of interaction in S=1/2 antiferromagnetic chain

We study the magnetic properties of $S=1/2$ antiferromagnetic Heisenberg chains with inhomogeneity of interaction. Using a quantum Monte Carlo method and an exact diagonalization method, we study bond-impurity effect in the uniform $S=1/2$ chain and also in the bond-alternating chain. Here `bond impurity' means a bond with strength different from those in the bulk or a defect in the alternating order. Local magnetic structures induced by bond impurities are investigated both in the ground state and at finite temperatures, calculating the local magnetization, the local susceptibility and the local field susceptibility. We also investigate the force acting between bond impurities and find the force generally attractive.Comment: 15pages, 34figure

Bridging the Two Plans in the Semantics for Relevant Logic

Part of the Synthese Library book series (SYLI, volume 418)This paper considers how the two plans in the semantics for relevant logic are related to each other. The so-called American plan, classical-style four-valued semantics, is intuitive, but weak. The so-called Australian plan, two-valued frame semantics, is very powerful, but the semantic devices employed need some explanation. Examining R. Routley’s 1984 paper ‘American plan completed, ’ this paper argues that the American plan provides an explanatory and ontological basis for the Australian plan, and that the latter is just a developed form of the former

Zero-Liquid Discharge Desalination of Hypersaline Shale Gas Wastewater: Challenges and Future Directions

EMCEI 2017 - Euro-Mediterranean Conference for Environmental IntegrationUnconventional natural gas extraction from tight shale reservoirs, or shale gas, has recently emerged as an attractive energy resource to face the rising worldwide demand. Over the past decade, advanced technologies of horizontal drilling and hydraulic fracturing (“fracking”) have allowed the economic viability of shale gas exploration from rather unattainable deposits. Apart from optimistic growth projections, shale gas production is also responsible for worrying environmental and social implications, which are related, among others, to elevated freshwater consumption and hazardous wastewater generation. Within this framework, the ability of zero-liquid discharge desalination to promote water reuse and/or water recycling is critical for shale gas industry. Hence, application of effective desalination processes is mandatory to treat the large amounts of polluting hypersaline wastewater, alleviating environmental and public health impacts and enhancing overall shale gas process sustainability. This work outlines the challenges and future directions for ZLD desalination of shale gas wastewater.This project has received funding from the European Union’s Horizon 2020 Research and Innovation Programme under grant agreement No. 640979