Towards the parameterisation of the Hubbard model for salts of BEDT-TTF: A density functional study of isolated molecules

We calculate the effective Coulomb repulsion between electrons/holes, U, and site energy for an isolated BEDT-TTF [bis(ethylenedithio)tetrathiafulvalene] molecule in vacuo. U=4.2 \pm 0.1 eV for 44 experimental geometries taken from a broad range of conformations, polymorphs, anions, temperatures, and pressures (the quoted `error' is one standard deviation). Hence we conclude that U is essentially the same for all of the compounds studied. This shows that the strong (hydrostatic and chemical) pressure dependence observed in the phase diagrams of the BEDT-TTF salts is not due to U. Therefore, if the Hubbard model is sufficient to describe the phase diagram of the BEDT-TTF salts there must be significant pressure dependence on the intramolecular terms in the Hamiltonian and/or the reduction of the Hubbard U due to the interaction of the molecule with the polarisable crystal environment. The renormalised value of U is significantly smaller than the bare value of the Coulomb integral: F_0=5.2\pm0.1 eV across the same set of geometries, emphasising the importance of using the renormalised value of U. The site energy (for holes), xi=5.0\pm0.2 eV, varies only a little more than U across the same set of geometries. However, we argue that this plays a key role in understanding the role of disorder in ET salts in general and in explaining the difference between the beta_L and beta_H phases of beta-(BEDT-TTF)_2I_3 in particular.Comment: 13 pages, 6 figures, also see animations at http://www.youtube.com/watch?v=3K2kP8hWpZI, http://www.youtube.com/watch?v=wIz1cRsSdEs and http://www.youtube.com/watch?v=bNzUBAS6AFM, Expanded discussion of renormalisation effects. To appear in J. Chem. Phy

Radio-frequency reflectometry on an undoped AlGaAs/GaAs single electron transistor

Radio frequency reflectometry is demonstrated in a sub-micron undoped AlGaAs/GaAs device. Undoped single electron transistors (SETs) are attractive candidates to study single electron phenomena due to their charge stability and robust electronic properties after thermal cycling. However these devices require a large top-gate which is unsuitable for the fast and sensitive radio frequency reflectometry technique. Here we demonstrate rf reflectometry is possible in an undoped SET.Comment: Four pages, three figures, one supplementary fil

On CARICOM and the Varying Levels of and Motives for Integration Among the Member States

In an era of rapid transport and communication, spectators have come to expect a bridging of the classic political, social, and economic divide between states. It is taken for granted that states have more to work together than to strive independently for. CARICOM is the Caribbean\u27s experiment at regional integration and it member states have pledged their ostensible support. This study is aimed at gauging the true levels of enthusiasm of the member states, which have varied among them and over time. By analysing the trade pattern of the Members with each other in comparison with the rest of the world, the commitment of the member states was ascertained. The study explores various issues and characteristics of the region that help to bolster or threaten increased cooperation among the Members. Among these, external dependency, social peculiarities, and the vulnerability of the Members makes for an interesting and uncertain prediction for the group\u27s future. Using various indicators and indices from such sources as the World Bank, International Monetary Fund, and the Commonwealth Secretariat the states were compared and their various situations analysed to give reason for their varied levels of commitment to regionalisation through CARICOM. Certainly possessing more in common than not, the Members prove an exception, or perhaps a refutation to the idea of international cooperation being positively affected or catalysed by commonality

The effect of caffeine mouth rinse on self-paced cycling performance

The aim of the study was to determine whether caffeine mouth rinse would improve 30 min self-paced cycling trial. Twelve healthy active males (age 20.5±0.7 years, mass 87.4±18.3 kg) volunteered for the study. They attended the laboratory on 3 separate occasions performing a 30 min self-paced cycling trial. On one occasion water was given as a mouth rinse for 5 s (PLA), on another occasion a 6.4% maltodextrin (CHO) solution was given for 5 s and finally a caffeine solution (containing 32 mg of caffeine dissolved in 125 ml water; CAF) was given for 5 s. Distance cycled, heart rate, ratings of perceived exertion, cadence, speed and power output were recorded throughout all trials. Distance cycled during the CAF mouth rinse trial (16.2±2.8 km) was significantly greater compared to PLA trial (14.9±2.6 km). There was no difference between CHO and CAF trials (P=0.89). Cadence, power and velocity were significantly greater during the CAF trial compared to both PLA and CHO (P0.05). Caffeine mouth rinse improves 30 min cycling performance by allowing the participant to increase cadence, power and velocity without a concurrent increase in perceived exertion and heart rate

From coinductive proofs to exact real arithmetic: theory and applications

Based on a new coinductive characterization of continuous functions we extract certified programs for exact real number computation from constructive proofs. The extracted programs construct and combine exact real number algorithms with respect to the binary signed digit representation of real numbers. The data type corresponding to the coinductive definition of continuous functions consists of finitely branching non-wellfounded trees describing when the algorithm writes and reads digits. We discuss several examples including the extraction of programs for polynomials up to degree two and the definite integral of continuous maps

Malignant Pancreatic Polypeptide Secreting Tumour of Islet Cells: A Case for Aggressive Surgical Palliation

A case of a malignant pancreatic polypeptide secreting tumour is reported. The tumour was metastatic at presentation at which time it was excised. Pancreatic duct obstruction occurred 3 years after excision causing severe pain on eating. Major palliative surgery, in the form of a pancreatico-jejunostomy, cured the severe symptoms. The patient survives, largely symptom free, over six years after original excision. This case illustrates the need for aggressive management of symptoms in tumours in which long term survival is possible despite locally advanced or metastatic disease

Self-Assembled Triply Periodic Minimal Surfaces as moulds for Photonic Band Gap Materials

We propose systems with structures defined by self-assembled triply periodic minimal surfaces (STPMS) as candidates for photonic bandgap materials. To support our proposal we have calculated the photonic bands for different STPMS and we have found that, at least, the double diamond and gyroid structures present full photonic bandgaps. Given the great variety of systems which crystalize in these structures, the diversity of possible materials that form them and the range of lattice constants they present, the construction of photonic bandgap materials with gaps in the visible range may be presently within reach.Comment: 3 pages, 2 figures, RevTe

On the principal bifurcation branch of a third order nonlinear long-wave equation

We study the principal bifurcation curve of a third order equation which describes the nonlinear evolution of several systems with a long--wavelength instability. We show that the main bifurcation branch can be derived from a variational principle. This allows to obtain a close estimate of the complete branch. In particular, when the bifurcation is subcritical, the large amplitude stable branch can be found in a simple manner.Comment: 11 pages, 3 figure

Self-gravitating fluid shells and their non-spherical oscillations in Newtonian theory

We summarize the general formalism describing surface flows in three-dimensional space in a form which is suitable for various astrophysical applications. We then apply the formalism to the analysis of non-radial perturbations of self-gravitating spherical fluid shells. Spherically symmetric gravitating shells (or bubbles) have been used in numerous model problems especially in general relativity and cosmology. A radially oscillating shell was recently suggested as a model for a variable cosmic object. Within Newtonian gravity we show that self-gravitating static fluid shells are unstable with respect to linear non-radial perturbations. Only shells (bubbles) with a negative mass (or with a charge the repulsion of which is compensated by a tension) are stable.Comment: 20 pages, to be published in the Astrophysical Journal, typos correcte