Importance of van der Waals interactions for ab initio studies of topological insulators

We investigate the lattice and electronic structures of the bulk and surface of the prototypical layered topological insulators Bi$_2$Se$_3$ and Bi$_2$Te$_3$ using ab initio density functional methods, and systematically compare the results of different methods of including van der Waals (vdW) interactions. We show that the methods utilizing semi-empirical energy corrections yield accurate descriptions of these materials, with the most precise results obtained by properly accounting for the long-range tail of the vdW interactions. The bulk lattice constants, distances between quintuple layers and the Dirac velocity of the topological surface states (TSS) are all in excellent agreement with experiment. In Bi$_2$Te$_3$, hexagonal warping of the energy dispersion leads to complex spin textures of the TSS at moderate energies, while in Bi$_2$Se$_3$ these states remain almost perfectly helical away from the Dirac point, showing appreciable signs of hexagonal warping at much higher energies, above the minimum of the bulk conduction band. Our results establish a framework for unified and systematic self-consistent first principles calculations of topological insulators in bulk, slab and interface geometries, and provides the necessary first step towards ab initio modeling of topological heterostructures.Comment: 26 pages, 7 figures. This is the Accepted Manuscript version of an article accepted for publication in Journal of Physics: Condensed Matter. IOP Publishing Ltd is not responsible for any errors or omissions in this version of the manuscript or any version derived from it. The Version of Record is available online at https://dx.doi.org/10.1088/1361-648X/abbdb

Speciation in the baboon and its relation to gamma-chain heterogeneity and to the response to induction of HbF by 5-azacytidine

In the baboon (Papio species), the two nonallelic gamma-genes produce gamma-chains that differ at a minimum at residue 75, where isoleucine (I gamma-chain) or valine (V gamma) may be present. This situation obtains in baboons that are sometimes designated as Papio anubis, Papio hamadryas, and Papio papio. However, in Papio cynocephalus, although the I gamma-chains are identical with those in the above mentioned types, the V gamma-chains have the substitutions ala----gly at residue 9 and ala----val at residue 23. The V gamma-chains of P. cynocephalus are called V gamma C to distinguish them from the V gamma A-chains of P. anubis, etc. A single cynocephalus animal has been found to have only normal I gamma-chains and I gamma C-chains (that is, glycine in residue 9, valine in 23, and isoleucine in 75). When HbF is produced in response to stress with 5-azacytidine, P. anubis baboons respond with greater production than do P. cynocephalus, and hybrids fall between. Minimal data on P. hamadryas and P. papio suggest an even lower response than P. cynocephalus. As HbF increases under stress, the ratio of I gamma to V gamma-chains changes from the value in the adult or juvenile baboon toward the ratio in the newborn baboon. However, it does not attain the newborn value. The V gamma A and V gamma C-genes respond differently to stress. In hybrids, the production of V gamma A- chains exceeds that of V gamma C-chains. A controlling factor in cis apparently is present and may be responsible for the species-related extent of total HbF production. It may be concluded that the more primitive the cell in the erythroid maturation series that has been subjected to 5-azacytidine, the more active is the I gamma-gene

Community Property

Covers cases on the surrender value of community insurance subject to inheritance tax and on distinguishing community and separate property

Communication Department Heads: An Analysis of Positions Available 1990 through 1994

This article presents an analysis of positions available in 1990 through 1994 as communication department heads in the U.S. It is not surprising that over 75% of the listings for department heads indicated that the doctorate or other terminal degree would be required. The doctorate has become a standard feature associated with positions in higher education, and most certainly for senior-level positions. Nearly 95% (94.34%) of the listings indicated that candidates would be appointed at the rank of associate professor or higher. Such positions require candidates to meet all of the standard qualifications for a tenured appointment, including possession of the doctorate

The Art of Framing: Managing the Language of Leadership, by Gail T. Fairhurst and Robert A. Sarr

a book review of The Art of Framing: Managing the Language of Leadership, by Gail T. Fairhurst and Robert A. Sarr

Hot Gas in the Galactic Thick Disk and Halo Near the Draco Cloud

This paper examines the ultraviolet and X-ray photons generated by hot gas in the Galactic thick disk or halo in the Draco region of the northern hemisphere. Our analysis uses the intensities from four ions, C IV, O VI, O VII, and O VIII, sampling temperatures of ~100,000 to ~3,000,000 K. We measured the O VI, O VII and O VIII intensities from FUSE and XMM-Newton data and subtracted off the local contributions in order to deduce the thick disk/halo contributions. These were supplemented with published C IV intensity and O VI column density measurements. Our estimate of the thermal pressure in the O VI-rich thick disk/halo gas, p_{th}/k = 6500^{+2500}_{-2600} K cm^{-3}, suggests that the thick disk/halo is more highly pressurized than would be expected from theoretical analyses. The ratios of C IV to O VI to O VII to O VIII, intensities were compared with those predicted by theoretical models. Gas which was heated to 3,000,000 K then allowed to cool radiatively cannot produce enough C IV or O VI-generated photons per O VII or O VIII-generated photon. Producing enough C IV and O VI emission requires heating additional gas to 100,000 < T < 1,000,000 K. However, shock heating, which provides heating across this temperature range, overproduces O VI relative to the others. Obtaining the observed mix may require a combination of several processes, including some amount of shock heating, heat conduction, and mixing, as well as radiative cooling of very hot gas.Comment: 10 pages, 2 figures. Accepted for publication in the Astrophysical Journa

The Effects of Two Novel Anti-Inflammatory Compounds On Prepulse Inhibition and Neural Microglia Cell Activation in a Rodent Model of Schizophrenia

Recent studies have shown elevated neuroinflammation in a large subset of individuals diagnosed with schizophrenia. A pro-inflammatory cytokine, tumor necrosis factor-alpha (TNFα), has been directly linked to this neuroinflammation. This study examined the effects of two TNFα modulators (PD2024 and PD340) produced by our collaborators at P2D Bioscience, Inc., to alleviate auditory sensorimotor gating deficits and reduce microglial cell activation present in the polyinosinic:polycytidylic (Poly I:C) rodent model of schizophrenia. Auditory sensorimotor gating was assessed using prepulse inhibition and microglial activation was examined and quantified using immunohistochemistry and confocal microscopy, respectively. Both PD2024 and PD340 alleviated auditory sensorimotor gating deficits and reduced microglia activation and thereby demonstrated the ability to treat both the behavioral and neuroinflammatory aspects of the disorder. These results are significant and suggest that neural TNFα is a potential pharmacological target for the treatment of schizophrenia

Paper Session III-A - STS Derivative Cargo Vehicles for the 1990\u27s Decade and Beyond

Currently planned U.S. civil space activities for the late 1990\u27s into the early 2000 time period will require the development of a new earth-to-orbit unmanned cargo vehicle(s). This system will be designed to support an aggressive space activity, including Space Station Freedom and eventually lunar/planetary exploration programs. Primary mission needs include increased cargo weight and volume capability and lower operating costs. A mid-90\u27s unmannedcargo vehicle (Shuttle C), which utilizes existing space-qualified STS booster elements, is currently being designed for delivery of 100K-150K Ibs to low earth orbit. Variations of this design plus other concepts that offer very large lift capability of 200K-300K Ibs, still utilizing STS booster elements, will be discussed. An evolutionary pathway, based on STS booster elements, is practical for providing heavy lift capabilities of 100K-300K Ibs