Characterization of Thin Film Materials using SCAN meta-GGA, an Accurate Nonempirical Density Functional

We discuss self-consistently obtained ground-state electronic properties of monolayers of graphene and a number of beyond graphene compounds, including films of transition-metal dichalcogenides (TMDs), using the recently proposed strongly constrained and appropriately normed (SCAN) meta-generalized gradient approximation (meta-GGA) to the density functional theory. The SCAN meta-GGA results are compared with those based on the local density approximation (LDA) as well as the generalized gradient approximation (GGA). As expected, the GGA yields expanded lattices and softened bonds in relation to the LDA, but the SCAN meta-GGA systematically improves the agreement with experiment. Our study suggests the efficacy of the SCAN functional for accurate modeling of electronic structures of layered materials in high-throughput calculations more generally

Doppler cooling of gallium atoms: 2. Simulation in complex multilevel systems

This paper derives a general procedure for the numerical solution of the Lindblad equations that govern the coherences arising from multicoloured light interacting with a multilevel system. A systematic approach to finding the conservative and dissipative terms is derived and applied to the laser cooling of gallium. An improved numerical method is developed to solve the time-dependent master equation and results are presented for transient cooling processes. The method is significantly more robust, efficient and accurate than the standard method and can be applied to a broad range of atomic and molecular systems. Radiation pressure forces and the formation of dynamic dark-states are studied in the gallium isotope 66Ga.Comment: 15 pages, 8 figure

Ultracold, radiative charge transfer in hybrid Yb ion - Rb atom traps

Ultracold hybrid ion-atom traps offer the possibility of microscopic manipulation of quantum coherences in the gas using the ion as a probe. However, inelastic processes, particularly charge transfer can be a significant process of ion loss and has been measured experimentally for the Yb$^{+}$ ion immersed in a Rb vapour. We use first-principles quantum chemistry codes to obtain the potential energy curves and dipole moments for the lowest-lying energy states of this complex. Calculations for the radiative decay processes cross sections and rate coefficients are presented for the total decay processes. Comparing the semi-classical Langevin approximation with the quantum approach, we find it provides a very good estimate of the background at higher energies. The results demonstrate that radiative decay mechanisms are important over the energy and temperature region considered. In fact, the Langevin process of ion-atom collisions dominates cold ion-atom collisions. For spin dependent processes \cite{kohl13} the anisotropic magnetic dipole-dipole interaction and the second-order spin-orbit coupling can play important roles, inducing couplingbetween the spin and the orbital motion. They measured the spin-relaxing collision rate to be approximately 5 orders of magnitude higher than the charge-exchange collision rate \cite{kohl13}. Regarding the measured radiative charge transfer collision rate, we find that our calculation is in very good agreement with experiment and with previous calculations. Nonetheless, we find no broad resonances features that might underly a strong isotope effect. In conclusion, we find, in agreement with previous theory that the isotope anomaly observed in experiment remains an open question.Comment: 7 figures, 1 table accepted for publication in J. Phys. B: At. Mol. Opt. Phys. arXiv admin note: text overlap with arXiv:1107.114

Entropic Origin of Pseudogap Physics and a Mott-Slater Transition in Cuprates

We propose a new approach to understand the origin of the pseudogap in the cuprates, in terms of bosonic entropy. The near-simultaneous softening of a large number of different $q$-bosons yields an extended range of short-range order, wherein the growth of magnetic correlations with decreasing temperature $T$ is anomalously slow. These entropic effects cause the spectral weight associated with the Van Hove singularity (VHS) to shift rapidly and nearly linearly toward half filling at higher $T$, consistent with a picture of the VHS driving the pseudogap transition at a temperature $\sim T^*$. As a byproduct, we develop an order-parameter classification scheme that predicts supertransitions between families of order parameters. As one example, we find that by tuning the hopping parameters, it is possible to drive the cuprates across a {\it transition between Mott and Slater physics}, where a spin-frustrated state emerges at the crossover.Comment: 24 pgs, 15 figs + Supp. Material [6pgs, 3 figs]. Major revision of arXiv:1505.0477

Dynamical symmetry of isobaric analog 0+ states in medium mass nuclei

An algebraic sp(4) shell model is introduced to achieve a deeper understanding and interpretation of the properties of pairing-governed 0+ states in medium mass atomic nuclei. The theory, which embodies the simplicity of a dynamical symmetry approach to nuclear structure, is shown to reproduce the excitation spectra and fine structure effects driven by proton-neutron interactions and isovector pairing correlations across a broad range of nuclei.Comment: 7 pages, 5 figure

Large-Scale CO Maps of the Lupus Molecular Cloud Complex

Fully sampled degree-scale maps of the 13CO 2-1 and CO 4-3 transitions toward three members of the Lupus Molecular Cloud Complex - Lupus I, III, and IV - trace the column density and temperature of the molecular gas. Comparison with IR extinction maps from the c2d project requires most of the gas to have a temperature of 8-10 K. Estimates of the cloud mass from 13CO emission are roughly consistent with most previous estimates, while the line widths are higher, around 2 km/s. CO 4-3 emission is found throughout Lupus I, indicating widespread dense gas, and toward Lupus III and IV. Enhanced line widths at the NW end and along the edge of the B228 ridge in Lupus I, and a coherent velocity gradient across the ridge, are consistent with interaction between the molecular cloud and an expanding HI shell from the Upper-Scorpius subgroup of the Sco-Cen OB Association. Lupus III is dominated by the effects of two HAe/Be stars, and shows no sign of external influence. Slightly warmer gas around the core of Lupus IV and a low line width suggest heating by the Upper-Centaurus-Lupus subgroup of Sco-Cen, without the effects of an HI shell.Comment: 54 pages, 27 figures, 5 tables. To appear in ApJS. Preprint also available (with full-size figures) from http://www.astro.ex.ac.uk/people/nfht/publications.html Datacubes available from http://www.astro.ex.ac.uk/people/nfht/resources.htm

Confirmatory factor analysis of the Test of Performance Strategies (TOPS) among adolescent athletes

The aim of the present study was to examine the factorial validity of the Test of Performance Strategies (TOPS; Thomas et al., 1999) among adolescent athletes using confirmatory factor analysis. The TOPS was designed to assess eight psychological strategies used in competition (i.e. activation, automaticity, emotional control, goal-setting, imagery, negative thinking, relaxation and self-talk,) and eight used in practice (the same strategies except negative thinking is replaced by attentional control). National-level athletes (n = 584) completed the 64-item TOPS during training camps. Fit indices provided partial support for the overall measurement model for the competition items (robust comparative fit index = 0.92, Tucker-Lewis index = 0.88, root mean square error of approximation = 0.05) but minimal support for the training items (robust comparative fit index = 0.86, Tucker-Lewis index = 0.81, root mean square error of approximation = 0.06). For the competition items, the automaticity, goal-setting, relaxation and self-talk scales showed good fit, whereas the activation, emotional control, imagery and negative thinking scales did not. For the practice items, the attentional control, emotional control, goal-setting, imagery and self-talk scales showed good fit, whereas the activation, automaticity and relaxation scales did not. Overall, it appears that the factorial validity of the TOPS for use with adolescents is questionable at present and further development is required

The Collider Phenomenology of Technihadrons in the Technicolor Straw Man Model

We discuss the phenomenology of the lightest SU(3)_C singlet and non-singlet technihadrons in the Straw Man Model of low-scale technicolor (TCSM). The technihadrons are assumed to be those arising in topcolor--assisted technicolor models in which topcolor is broken by technifermion condensates. We improve upon the description of the color--singlet sector presented in our earlier paper introducing the TCSM (hep-ph/9903369). These improvements are most important for subprocess energies well below the masses of the technirho and techniomega, and, therefore, apply especially to e+e- colliders such as LEP and a low--energy linear collider. In the color--octet sector, we consider mixing of the gluon, the coloron V_8 from topcolor breaking, and four isosinglet color--octet technirho mesons. We assume, as expected in walking technicolor, that these technirhos decay into qbar-q, gg, and g-technipion final states, but not into technipion pairs. All the TCSM production and decay processes discussed here are included in the event generator Pythia. We present several simulations appropriate for the Tevatron Collider, and suggest benchmark model lines for further experimental investigation.Comment: 42 pages, 7 figure

The orbits of the quadruple star system 88 Tau A from PHASES differential astrometry and radial velocity

We have used high precision differential astrometry from the Palomar High-precision Astrometric Search for Exoplanet Systems (PHASES) project and radial velocity measurements covering a time-span of 20 years to determine the orbital parameters of the 88 Tau A system. 88 Tau is a complex hierarchical multiple system comprising a total of six stars; we have studied the brightest 4, consisting of two short-period pairs orbiting each other with an 18-year period. We present the first orbital solution for one of the short-period pairs, and determine the masses of the components and distance to the system to the level of a few percent. In addition, our astrometric measurements allow us to make the first determination of the mutual inclinations of the orbits. We find that the sub-systems are not coplanar.Comment: Corrected Author Ordering; 12 Pages, Accepted for publication in Ap

The Phases Differential Astrometry Data Archive. IV. The Triple Star Systems 63 Gem A and HR 2896

Differential astrometry measurements from the Palomar High-precision Astrometric Search for Exoplanet Systems (PHASES) are used to constrain the astrometric orbit of the previously known ≾2 day subsystem in the triple system 63 Gem A and have detected a previously unknown two-year Keplerian wobble superimposed on the visual orbit of the much longer period (213 years) binary system HR 2896. 63 Gem A was already known to be triple from spectroscopic work, and absorption lines from all three stars can be identified and their individual Doppler shifts measured; new velocities for all three components are presented to aid in constraining the orbit and measuring the stellar masses. In fact, 63 Gem itself is a sextuple system: the hierarchical triple (Aa1-Aa2)-Ab (in which Aa1 and Aa2 orbit each other with a rapid period just under 2 days, and Ab orbits these every two years), plus three distant common proper motion companions. The very small astrometric perturbation caused by the inner pair in 63 Gem A stretches the limits of current astrometric capabilities, but PHASES observations are able to constrain the orientation of the orbit. The two bright stars comprising the HR 2896 long-period (213 year) system have a combined spectral type of K0III and the newly detected object's mass estimate places it in the regime of being an M dwarf. The motion of the stars are slow enough that their spectral features are always blended, preventing Doppler studies. The PHASES measurements and radial velocities (when available) have been combined with lower precision single-aperture measurements covering a much longer time frame (from eyepiece measurements, speckle interferometry, and adaptive optics) to improve the characterization of the long-period orbits in both binaries. The visual orbits of the short- and long-period systems are presented for both systems and used to calculate two possible values of the mutual inclinations between inner and outer orbits of 152° ± 12° or a less likely value of 31° ± 11° for 63 Gem A and 10.°2 ± 2.°4 or 171.°2 ± 2.°8 for HR 2896. The first is not coplanar, whereas the second is either nearly coplanar or anti-coplanar