Nax_xCoO2_2 in the x -> 0 Regime: Coupling of Structure and Correlation effects

The study of the strength of correlations in Na$_x$CoO$_2$ is extended to the x=0 end of the phase diagram where Mott insulating behavior has been widely anticipated. Inclusion of correlation as modeled by the LDA+U approach leads to a Mott transition in the $a_g$ subband if U is no less than U$_c$=2.5 eV. Thus U smaller than U$_c$ is required to model the metallic, nonmagnetic CoO$_2$ compound reported by Tarascon and coworkers. The orbital-selective Mott transition of the $a_g$ state, which is essentially degenerate with the $e'_{g}$ states, occurs because of the slightly wider bandwidth of the $a_g$ bands. The metal-insulator transition is found to be strongly coupled to the Co-O bond length, due to associated changes in the $t_{2g}$ bandwidth, but the largest effects occur only at a reduced oxygen height that lies below the equilibrium position.Comment: 8 pages with 9 embedded figure

Enhancement of the upper critical field in codoped iron-arsenic high-temperature superconductors

We present the first study of codoped iron-arsenide superconductors of the 122 family (Sr/Ba)_(1-x)K_xFe_(2-y)Co_yAs_2 with the purpose to increase the upper critical field H_c2 compared to single doped (Sr/Ba)Fe_2As_2 materials. H_c2 was investigated by measuring the magnetoresistance in high pulsed magnetic fields up to 64 T. We find, that H_c2 extrapolated to T = 0 is indeed enhanced significantly to ~ 90 T for polycrystalline samples of Ba_0.55K_0.45Fe_1.95Co_0.05As_2 compared to ~75 T for Ba_0.55K_0.45Fe_2As_2 and BaFe_1.8Co_0.2As_2 single crystals. Codoping thus is a promising way for the systematic optimization of iron-arsenic based superconductors for magnetic-field and high-current applications.Comment: 7 pages, 5 figures, submitted to Journal of Applied Physic

Microscopic magnetic modeling for the SS=1/2 alternating chain compounds Na3_3Cu2_2SbO6_6 and Na2_2Cu2_2TeO6_6

The spin-1/2 alternating Heisenberg chain system Na$_3$Cu$_2$SbO$_6$ features two relevant exchange couplings: $J_{1a}$ within the structural Cu$_2$O$_6$ dimers and $J_{1b}$ between the dimers. Motivated by the controversially discussed nature of $J_{1a}$, we perform extensive density-functional-theory (DFT) calculations, including DFT+$U$ and hybrid functionals. Fits to the experimental magnetic susceptibility using high-temperature series expansions and quantum Monte Carlo simulations yield the optimal parameters $J_{1a}$ = $-$217 K and $J_{1b}$ = 174 K with the alternation ratio $\alpha = J_{1a}/J_{1b} \simeq$ $-$1.25. For the closely related system Na$_2$Cu$_2$TeO$_6$, DFT yields substantially enhanced $J_{1b}$, but weaker $J_{1a}$. The comparative analysis renders the buckling of the chains as the key parameter altering the magnetic coupling regime. Numerical simulation of the dispersion relations of the alternating chain model clarify why both antiferromagnetic and ferrromagnetic $J_{1a}$ can reproduce the experimental magnetic susceptibility data.Comment: published version: 11 pages, 8 figures, 5 tables + Supplemental materia

Vibrational Modes in LiBC: Theory Compared with Experiment

The search for other superconductors in the MgB2 class currently is focussed on Li{1-x}BC, which when hole-doped (concentration x) should be a metal with the potential to be a better superconductor than MgB2. Here we present the calculated phonon spectrum of the parent semiconductor LiBC. The calculated Raman-active modes are in excellent agreement with a recent observation, and comparison of calculated IR-active modes with a recent report provides a prediction of the LO--TO splitting for these four modes, which is small for the B-C bond stretching mode at ~1200 cm^{-1}, but large for clearly resolved modes at 540 cm^{-1} and 620 cm^{-1}.Comment: 4 pages, two embedded figures. Physica B (in press

Prior Cardiac Surgery is Independently Associated with Decreased Survival following Infant Tracheostomy

INTRODUCTION: Previous reports have demonstrated that prior cardiac surgery is independently associated with in-hospital mortality after infant tracheostomy. We aimed to determine whether these infants would continue to be at increased risk for death following hospital discharge. METHODS: A retrospective review was performed on subjects < 2 y of age who recovered from tracheostomy in the pediatric ICU at our institution between January 2007 and December 2011, with follow-up to December 2013. Survival to 1 y following tracheostomy was the primary outcome variable for the study. Multivariate Cox regression analysis was then performed to determine independent risk factors for death after infant tracheostomy. RESULTS: Forty-two subjects met inclusion criteria, 18 of whom had undergone prior cardiac surgery. Twenty-six subjects (62%) were alive at 1 y post-tracheostomy. Age at tracheostomy, concomitant genetic abnormalities or prematurity, and ventilator dependence at discharge were not statistically different between survivors and those who died. Subjects who died, however, were more likely to have had cardiac surgery prior to tracheostomy (11 [69%] vs 7 [27%], P = .008) and had longer hospital stay (median 3.4 months [interquartile range: 2.6–4.6] vs 2.2 months [interquartile range: 1.1–3.5], P = .045). Multivariate Cox regression analysis revealed only prior cardiac surgery to be independently associated with decreased survival after tracheostomy (hazard ratio 4.7, 95% CI 1.3–16.4, P = .02). CONCLUSIONS: Prior cardiac surgery is independently associated with decreased survival within 1 y following tracheostomy. Clinicians and families of infants with prior cardiac surgery in whom tracheostomy after cardiac surgery is deemed necessary should consider this risk when planning long-term care

Catalysis study for space shuttle vehicle thermal protection systems

Experimental results on the problem of reducing aerodynamic heating on space shuttle orbiter surfaces are presented. Data include: (1) development of a laboratory flow reactor technique for measuring gamma sub O and gamma sub N on candidate materials at surfaces, T sub w, in the nominal range 1000 to 2000, (2) measurements of gamma sub O and gamma sub N above 1000 K for both the glass coating of a reusable surface insulation material and the siliconized surface of a reinforced pyrolyzed plastic material, (3) measurement of the ablation behavior of the coated RPP material at T sub w is greater than or equal to 2150 K, (4) X-ray photoelectron spectral studies of the chemical constituents on these surfaces before and after dissociated gas exposure, (5) scanning electron micrograph examination of as-received and reacted specimens, and (6) development and exploitation of a method of predicting the aerodynamic heating consquences of these gamma sub O(T sub w) and gamma sub N(T sub w) measurements for critical locations on a radiation cooled orbiter vehicle

Atomic Parity Violation and Precision Electroweak Physics - An Updated Analysis

A new analysis of parity violation in atomic cesium has led to the improved value of the weak charge, $Q_W({\rm Cs}) = -72.06 \pm 0.46$. The implications of this result for constraining the Peskin-Takeuchi parameters S and T and for guiding searches for new Z bosons are discussed.Comment: 8 pages, LaTeX, 3 figures, Submitted to Physical Review D. Updated experimental inputs and references; clarification of notatio

Crystal water induced switching of magnetically active orbitals in CuCl2

The dehydration of CuCl2*2(H2O) to CuCl2 leads to a dramatic change in magnetic behavior and ground state. Combining density functional electronic structure and model calculations with thermodynamical measurements we reveal the microscopic origin of this unexpected incident -- a crystal water driven switching of the magnetically active orbitals. This switching results in a fundamental change of the coupling regime from a three-dimensional antiferromagnet to a quasi one-dimensional behavior. CuCl2 can be well described as a frustrated J1-J2 Heisenberg chain with ferromagnetic exchange J1 and J2/J1 ~ -1.5 for which a helical ground state is predicted.Comment: 6 pages, 5 figures, 1 table (PRB, accepted

Low-Mass Baryon-Antibaryon Enhancements in B Decays

The nature of low-mass baryon-antibaryon enhancements seen in B decays is explored. Three possibilities include (i) states near threshold as found in a model by Nambu and Jona-Lasinio, (ii) isoscalar states with $J^{PC} = 0^{\pm +}$ coupled to a pair of gluons, and (iii) low-mass enhancements favored by the fragmentation process. Ways of distinguishing these mechanisms using angular distributions and flavor symmetry are proposed.Comment: 8 pages, LaTeX, no figures, to be submitted to Phys. Rev. D. One reference adde