Non-perturbative embedding of local defects in crystalline materials

We present a new variational model for computing the electronic first-order density matrix of a crystalline material in presence of a local defect. A natural way to obtain variational discretizations of this model is to expand the difference Q between the density matrix of the defective crystal and the density matrix of the perfect crystal, in a basis of precomputed maximally localized Wannier functions of the reference perfect crystal. This approach can be used within any semi-empirical or Density Functional Theory framework.Comment: 13 pages, 4 figure

Evaluation of a ln tan integral arising in quantum field theory

We analytically evaluate a dilogarithmic integral that is prototypical of volumes of ideal tetrahedra in hyperbolic geometry. We additionally obtain new representations of the Clausen function Cl_2 and the Catalan constant G=Cl_2(\pi/2), as well as new relations between sine and Clausen function values.Comment: 24 pages, no figure

Electronic structure and chemical bonding of nc-TiC/a-C nanocomposites

The electronic structure of nanocrystalline (nc-) TiC/amorphous C nanocomposites has been investigated by soft x-ray absorption and emission spectroscopy. The measured spectra at the Ti 2p and C 1s thresholds of the nanocomposites are compared to those of Ti metal and amorphous C. The corresponding intensities of the electronic states for the valence and conduction bands in the nanocomposites are shown to strongly depend on the TiC carbide grain size. An increased charge-transfer between the Ti 3d-eg states and the C 2p states has been identified as the grain size decreases, causing an increased ionicity of the TiC nanocrystallites. It is suggested that the charge-transfer occurs at the interface between the nanocrystalline TiC and the amorphous C matrix and represents an interface bonding which may be essential for the understanding of the properties of nc-TiC/amorphous C and similar nanocomposites.Comment: 13 pages, 6 figures, 1 table; http://link.aps.org/doi/10.1103/PhysRevB.80.23510

Carbon release by selective alloying of transition metal carbides

We have performed first principles density functional theory calculations on TiC alloyed on the Ti sublattice with 3d transition metals ranging from Sc to Zn. The theory is accompanied with experimental investigations, both as regards materials synthesis as well as characterization. Our results show that by dissolving a metal with a weak ability to form carbides, the stability of the alloy is lowered and a driving force for the release of carbon from the carbide is created. During thin film growth of a metal carbide this effect will favor the formation of a nanocomposite with carbide grains in a carbon matrix. The choice of alloying elements as well as their concentrations will affect the relative amount of carbon in the carbide and in the carbon matrix. This can be used to design the structure of nanocomposites and their physical and chemical properties. One example of applications is as low-friction coatings. Of the materials studied, we suggest the late 3d transition metals as the most promising elements for this phenomenon, at least when alloying with TiC.Comment: 9 pages, 6 figure

XMM-Newton Spectroscopy of the Accretion-Driven Millisecond X-ray Pulsar XTE J1751-305 in Outburst

We present an analysis of the first high-resolution spectra measured from an accretion-driven millisecond X-ray pulsar in outburst. We observed XTE J1751-305 with XMM-Newton on 2002 April 7 for approximately 35 ksec. Using a simple absorbed blackbody plus power-law model, we measure an unabsorbed flux of (6.6 +/- 0.1) * 10^(-10) erg/cm^2/s (0.5--10.0 keV). A hard power-law component (Gamma = 1.44 +/- 0.01) contributes 83% of the unabsorbed flux in the 0.5-10.0 keV band, but a blackbody component (kT = 1.05 +/- 0.01 keV) is required. We find no clear evidence for narrow or broad emission or absorption lines in the time-averaged spectra, and the sensitivity of this observation has allowed us to set constraining upper-limits on the strength of important features. The lack of line features is at odds with spectra measured from some other X-ray binaries which share some similarities with XTE J1751-305. We discuss the implications of these findings on the accretion flow geometry in XTE J1751-305.Comment: 5 pages, 3 figures (2 color). ApJ Letters, accepted. Uses emulateapj.st

The Burst Spectra of EXO 0748-676 during a Long 2003 XMM-Newton Observation

Gravitationally redshifted absorption lines from highly ionized iron have been previously identified in the burst spectra of the neutron star in EXO 0748-676. To repeat this detection we obtained a long, nearly 600 ks observation of the source with XMM-Newton in 2003. The spectral features seen in the burst spectra from the initial data are not reproduced in the burst spectra from this new data. In this paper we present the spectra from the 2003 observations and discuss the sensitivity of the absorption structure to changes in the photospheric conditions.Comment: 18 Pages, 3 Figures. Accepted for publication in Ap

GX 339-4: back to life

We report preliminary results of a RossiXTE campaign on the 2002 outburst of the black-hole candidate GX 339-4. We show power density spectra of five observations during the early phase of the outburst. The first four power spectra show a smooth transition between a Low State and a Very High State. The fifth power spectrum resembles a High State, but a strong 6 Hz QPO appears suddenly within 16 seconds.Comment: 3 pages, 3 figures; to appear in Proceedings of the 4th Microquasar Workshop, eds. Ph Durouchoux, Y. Fuchs and J. Rodriguez, published by the Center for Space Physics: Kolkat

Blow-up profile of rotating 2D focusing Bose gases

We consider the Gross-Pitaevskii equation describing an attractive Bose gas trapped to a quasi 2D layer by means of a purely harmonic potential, and which rotates at a fixed speed of rotation $\Omega$. First we study the behavior of the ground state when the coupling constant approaches $a\_*$ , the critical strength of the cubic nonlinearity for the focusing nonlinear Schr{\"o}dinger equation. We prove that blow-up always happens at the center of the trap, with the blow-up profile given by the Gagliardo-Nirenberg solution. In particular, the blow-up scenario is independent of $\Omega$, to leading order. This generalizes results obtained by Guo and Seiringer (Lett. Math. Phys., 2014, vol. 104, p. 141--156) in the non-rotating case. In a second part we consider the many-particle Hamiltonian for $N$ bosons, interacting with a potential rescaled in the mean-field manner $--a\_N N^{2\beta--1} w(N^{\beta} x), with$w$a positive function such that$\int\_{\mathbb{R}^2} w(x) dx = 1$. Assuming that$\beta < 1/2$and that$a\_N \to a\_*$sufficiently slowly, we prove that the many-body system is fully condensed on the Gross-Pitaevskii ground state in the limit$N \to \infty$

RXTE observations of the neutron star low-mass X-ray binary GX 17+2: correlated X-ray spectral and timing behavior

We have analyzed ~600 ks of Rossi X-ray Timing Explorer data of the neutron star low-mass X-ray binary and Z source GX 17+2. A study was performed of the properties of the noise components and quasi-periodic oscillations (QPOs) as a function of the spectral properties, with the main goal to study the relation between the frequencies of the horizontal branch and upper kHz QPOs. It was found that when the upper kHz QPO frequency is below 1030 Hz these frequencies correlate, whereas above 1030 Hz they anti-correlate. GX 17+2 is the first source in which this is observed. We also found that the frequency difference of the high frequency QPOs was not constant and that the quality factors (Q values) of the HBO, its second harmonic, and the kHz QPOs are similar, and vary almost hand in hand by a factor of more than three. Observations of the normal branch oscillations during two type I X-ray bursts showed that their absolute amplitude decreased as the flux from the neutron star became stronger. We discuss these and other findings in terms of models that have been proposed for these phenomena. We also compare the behavior of GX 17+2 and other Z sources with that of black hole sources and consider the possibility that the mass accretion rate might not be driving force behind all spectral and variability changes.Comment: 35 pages, including 14 figures. Accepted for publication in ApJ. Revised discussion, one new figure, and some minor figure changes with respect to old versio

Diffuse Gamma-ray Emission from the Galactic Center - A Multiple Energy Injection Model

We suggest that the energy source of the observed diffuse gamma-ray emission from the direction of the Galactic center is the Galactic black hole Sgr A*, which becomes active when a star is captured at a rate of $\sim 10^{-5}$ yr^{-1}. Subsequently the star is tidally disrupted and its matter is accreted into the black hole. During the active phase relativistic protons with a characteristic energy $\sim 6\times 10^{52}$ erg per capture are ejected. Over 90% of these relativistic protons disappear due to proton-proton collisions on a timescale $\tau_{pp} \sim 10^4$ years in the small central bulge region with radius $\sim 50$ pc within Sgr A*, where the density is $\ge 10^3$ cm^{-3}. The gamma-ray intensity, which results from the decay of neutral pions produced by proton-proton collisions, decreases according to $e^{-t/\tau_{pp}}$, where t is the time after last stellar capture. Less than 5% of relativistic protons escaped from the central bulge region can survive and maintain their energy for >10^7 years due to much lower gas density outside, where the gas density can drop to $\sim 1$ cm$^{-3}$. They can diffuse to a $\sim 500$ pc region before disappearing due to proton-proton collisions. The observed diffuse GeV gamma-rays resulting from the decay of neutral pions produced via collision between these escaped protons and the gas in this region is expected to be insensitive to time in the multi-injection model with the characteristic injection rate of 10^{-5} yr^{-1}. Our model calculated GeV and 511 keV gamma-ray intensities are consistent with the observed results of EGRET and INTEGRAL, however, our calculated inflight annihilation rate cannot produce sufficient intensity to explain the COMPTEL data.Comment: 8 pages, 3 figures, accepted by A&