Post density functional theoretical studies of highly polar semiconductive Pb(Ti1−x_{1-x}Nix_{x})O3−x_{3-x} solid solutions: The effects of cation arrangement on band gap

We use a combination of conventional density functional theory (DFT) and post-DFT methods, including the local density approximation plus Hubbard $U$ (LDA+$U$), PBE0, and self-consistent $GW$ to study the electronic properties of Ni-substituted PbTiO$_{3}$ (Ni-PTO) solid solutions. We find that LDA calculations yield unreasonable band structures, especially for Ni-PTO solid solutions that contain an uninterrupted NiO$_{2}$ layer. Accurate treatment of localized states in transition-metal oxides like Ni-PTO requires post-DFT methods. $B$-site Ni/Ti cation ordering is also investigated. The $B$-site cation arrangement alters the bonding between Ni and O, and therefore strongly affects the band gap ($E_{\rm g}$) of Ni-PTO. We predict that Ni-PTO solid solutions should have a direct band gap in the visible light energy range, with polarization similar to the parent PbTiO$_{3}$. This combination of properties make Ni-PTO solid solutions promising candidate materials for solar energy conversion devices.Comment: 19 pages, 6 figure

Modeling GRB 050904: Autopsy of a Massive Stellar Explosion at z=6.29

GRB 050904 at redshift z=6.29, discovered and observed by Swift and with spectroscopic redshift from the Subaru telescope, is the first gamma-ray burst to be identified from beyond the epoch of reionization. Since the progenitors of long gamma-ray bursts have been identified as massive stars, this event offers a unique opportunity to investigate star formation environments at this epoch. Apart from its record redshift, the burst is remarkable in two respects: first, it exhibits fast-evolving X-ray and optical flares that peak simultaneously at t~470 s in the observer frame, and may thus originate in the same emission region; and second, its afterglow exhibits an accelerated decay in the near-infrared (NIR) from t~10^4 s to t~3 10^4 s after the burst, coincident with repeated and energetic X-ray flaring activity. We make a complete analysis of available X-ray, NIR, and radio observations, utilizing afterglow models that incorporate a range of physical effects not previously considered for this or any other GRB afterglow, and quantifying our model uncertainties in detail via Markov Chain Monte Carlo analysis. In the process, we explore the possibility that the early optical and X-ray flare is due to synchrotron and inverse Compton emission from the reverse shock regions of the outflow. We suggest that the period of accelerated decay in the NIR may be due to suppression of synchrotron radiation by inverse Compton interaction of X-ray flare photons with electrons in the forward shock; a subsequent interval of slow decay would then be due to a progressive decline in this suppression. The range of acceptable models demonstrates that the kinetic energy and circumburst density of GRB 050904 are well above the typical values found for low-redshift GRBs.Comment: 45 pages, 7 figures, and ApJ accepted. Revised version, minor modifications and 1 extra figur

Measuring the Spins of Stellar Black Holes: A Progress Report

We use the Novikov-Thorne thin disk model to fit the thermal continuum X-ray spectra of black hole X-ray binaries, and thereby extract the dimensionless spin parameter a* = a/M of the black hole as a parameter of the fit. We summarize the results obtained to date for six systems and describe work in progress on additional systems. We also describe recent methodological advances, our current efforts to make our analysis software fully available to others, and our theoretical efforts to validate the Novikov-Thorne model.Comment: 6 pages, conference proceedings, X-ray Astronomy 2009: Present Status, Multi-Wavelength Approach and Future Perspectives, AIP, eds. A. Comastri et al.; list of authors revise

Dark pair coherent states of the motion of a trapped ion

We propose a scheme for generating vibrational pair coherent states of the motion of an ion in a two-dimensional trap. In our scheme, the trapped ion is excited bichromatically by three laser beams along different directions in the X-Y plane of the ion trap. We show that if the initial vibrational state is given by a two-mode Fock state, the final steady state, indicated by the extinction of the fluorescence emitted by the ion, is a pure state. The motional state of the ion in the equilibrium realizes that of the highly-correlated pair coherent state.Comment: 14 pages, 3 figure

The Mass of the Black Hole in Cygnus X-1

Cygnus X-1 is a binary star system that is comprised of a black hole and a massive giant companion star in a tight orbit. Building on our accurate distance measurement reported in the preceding paper, we first determine the radius of the companion star, thereby constraining the scale of the binary system. To obtain a full dynamical model of the binary, we use an extensive collection of optical photometric and spectroscopic data taken from the literature. By using all of the available observational constraints, we show that the orbit is slightly eccentric (both the radial velocity and photometric data independently confirm this result) and that the companion star rotates roughly 1.4 times its pseudosynchronous value. We find a black hole mass of M =14.8\pm1.0 M_{\sun}, a companion mass of M_{opt}=19.2\pm1.9 M_{\sun}, and the angle of inclination of the orbital plane to our line of sight of i=27.1\pm0.8 deg.Comment: Paper II of three papers on Cygnus X-1; 27 pages including 5 figures and 3 tables, ApJ in pres