Spin-orbital gap of multiorbital antiferromagnet

In order to discuss the spin-gap formation in a multiorbital system, we analyze an e_g-orbital Hubbard model on a geometrically frustrated zigzag chain by using a density-matrix renormalization group method. Due to the appearance of a ferro-orbital arrangement, the system is regarded as a one-orbital system, while the degree of spin frustration is controlled by the spatial anisotropy of the orbital. In the region of strong spin frustration, we observe a finite energy gap between ground and first-excited states, which should be called a spin-orbital gap. The physical meaning is clarified by an effective Heisenberg spin model including correctly the effect of the orbital arrangement influenced by the spin excitation.Comment: 8 pages, 6 figures, extended versio

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

Orbital-controlled magnetic transition between gapful and gapless phases in the Haldane system with t2g-orbital degeneracy

In order to clarify a key role of orbital degree of freedom in the spin S=1 Haldane system, we investigate ground-state properties of the t2g-orbital degenerate Hubbard model on the linear chain by using numerical techniques. Increasing the Hund's rule coupling in multi-orbital systems, in general, there occurs a transition from an antiferromagnetic to a ferromagnetic phase. We find that the antiferromagnetic phase is described as the Haldane system with spin gap, while in the ferromagnetic phase, there exists the gapless excitation with respect to orbital degree of freedom. Possible relevance of the present results to actual systems is also discussed.Comment: 4 pages, 3 figures, to appear in Phys. Rev.

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

Heat flux microsensor measurements and calibrations

A new thin-film heat flux gage has been fabricated specifically for severe high temperature operation using platinum and platinum-10 percent rhodium for the thermocouple elements. Radiation calibrations of this gage were performed at the AEDC facility over the available heat flux range (approx. 1.0 - 1,000 W/cu cm). The gage output was linear with heat flux with a slight increase in sensitivity with increasing surface temperature. Survivability of gages was demonstrated in quench tests from 500 C into liquid nitrogen. Successful operation of gages to surface temperatures of 750 C has been achieved. No additional cooling of the gages is required because the gages are always at the same temperature as the substrate material. A video of oxyacetylene flame tests with real-time heat flux and temperature output is available

Band Crossing studied by GCM with 3D-CHFB

We solved the constrained Hill-Wheeler Equation, and found several signatures of multi-band crossing in 182 Os.Comment: LaTeX 3 pages, 3 eps figures; Contribution to International Conference, Nuclear Structure at the extreme,Lewes, UK, (1998) Jun.17-1