The infrared spectra of ABC-stacking tri- and tetra-layer graphenes studied by first-principles calculations

The infrared absorption spectra of ABC-stacking tri- and tetra-layer graphenes are studied using the density functional theory. It is found that they exhibit very different characteristic peaks compared with those of AB-stacking ones, caused by the different stacking sequence and interlayer coupling. The anisotropy of the spectra with respect to the direction of the light electric field is significant. The spectra are more sensitive to the stacking number when the electric field is perpendicular to the graphene plane due to the interlayer polarization. The high sensitivities make it possible to identify the stacking sequence and stacking number of samples by comparing theory and experiment.Comment: 7 pages, 5 figure

Electrodeposition from supercritical fluids

Recent studies have shown that it is possible to electrodeposit a range of materials, such as Cu, Ag and Ge, from various supercritical fluids, including hydrofluorocarbons and mixtures of CO2 with suitable co-solvents. In this perspective we discuss the relatively new field of electrodeposition from supercritical fluids. The perspective focuses on some of the underlying physical chemistry and covers both practical and scientific aspects of electrodeposition from supercritical fluids. We also discuss possible applications for supercritical fluid electrodeposition and suggest some key developments that are required to take the field to the next stage

Spin transfer torque on magnetic insulators

Recent experimental and theoretical studies focus on spin-mediated heat currents at interfaces between normal metals and magnetic insulators. We resolve conflicting estimates for the order of magnitude of the spin transfer torque by first-principles calculations. The spin mixing conductance G^\uparrow\downarrow of the interface between silver and the insulating ferrimagnet Yttrium Iron Garnet (YIG) is dominated by its real part and of the order of 10^14 \Omega^-1m^-2, i.e. close to the value for intermetallic interface, which can be explained by a local spin model.Comment: 4 pages, 4 figures, 2 table

Sensitivity of Ag/Al Interface Specific Resistances to Interfacial Intermixing

We have measured an Ag/Al interface specific resistance, 2AR(Ag/Al)(111) = 1.4 fOhm-m^2, that is twice that predicted for a perfect interface, 50% larger than for a 2 ML 50%-50% alloy, and even larger than our newly predicted 1.3 fOhmm^2 for a 4 ML 50%-50% alloy. Such a large value of 2ARAg/Al(111) confirms a predicted sensitivity to interfacial disorder and suggests an interface greater than or equal to 4 ML thick. From our calculations, a predicted anisotropy ratio, 2AR(Ag/Al)(001)/2AR(Ag/Al)(111), of more then 4 for a perfect interface, should be reduced to less than 2 for a 4 ML interface, making it harder to detect any such anisotropy.Comment: 3 pages, 2 figures, 1 table. In Press: Journal of Applied Physic

Influence of post-stroke fatigue on reaction times and corticospinal excitability during movement preparation

OBJECTIVES: Reduced corticospinal excitability at rest is associated with post-stroke fatigue (PSF). However, it is not known if corticospinal excitability prior to a movement is also altered in fatigue which may then influence subsequent behaviour. We hypothesized that the levels of PSF can be explained by differences in modulation of corticospinal excitability during movement preparation. METHODS: 73 stroke survivors performed an auditory reaction time task. Corticospinal excitability was measured using transcranial magnetic stimulation. Fatigue was quantified using the fatigue severity scale. The effect of time and fatigue on corticospinal excitability and reaction time was analysed using a mixed effects model. RESULTS: Those with greater levels of PSF showed reduced suppression of corticospinal excitability during movement preparation and increased facilitation immediately prior to movement onset (β = -0.0066, t = -2.22, p = 0.0263). Greater the fatigue, slower the reaction times the closer the stimulation time to movement onset (β = 0.0024, t = 2.47, p = 0.0159). CONCLUSIONS: Lack of pre-movement modulation of corticospinal excitability in high fatigue may indicate poor sensory processing supporting the sensory attenuation model of fatigue. SIGNIFICANCE: We take a systems-based approach and investigate the motor system and its role in pathological fatigue allowing us to move towards gaining a mechanistic understanding of chronic pathological fatigue

Vertex functions for d-wave mesons in the light-front approach

While the light-front quark model (LFQM) is employed to calculate hadronic transition matrix elements, the vertex functions must be pre-determined. In this work we derive the vertex functions for all d-wave states in this model. Especially, since both of $^3D_1$ and $^3S_1$ are $1^{--}$ mesons, the Lorentz structures of their vertex functions are the same. Thus when one needs to study the processes where $^3D_1$ is involved, all the corresponding formulas for $^3S_1$ states can be directly applied, only the coefficient of the vertex function should be replaced by that for $^3D_1$. The results would be useful for studying the newly observed resonances which are supposed to be d-wave mesons and furthermore the possible 2S-1D mixing in $\psi'$ with the LFQM.Comment: 12 pages, 2 figures, some typos corrected and more discussions added. Accepted by EPJ

On Silicon Carbide Grains as the Carrier of the 21 Micron Emission Feature in Post-Asymptotic Giant Branch Stars

The mysterious 21mu emission feature seen in 12 proto-planetary nebulae (PPNe) remains unidentified since its first detection in 1989. Over a dozen of candidate materials have been proposed within the past decade, but none of them has received general acceptance. Very recently, silicon carbide (SiC) grains with impurities were suggested to be the carrier of this enigmatic feature, based on recent laboratory data that doped SiC grains exhibit a resonance at \~21mu. This proposal gains strength from the fact that SiC is a common dust species in carbon-rich circumstellar envelopes. However, SiC dust has a strong vibrational band at ~11.3mu. We show in this Letter that in order to be consistent with the observed flux ratios of the 11.3mu feature to the 21mu feature, the band strength of the 21mu resonance has to be very strong, too strong to be consistent with current laboratory measurements. But this does not yet readily rule out the SiC hypothesis since recent experimental results have demonstrated that the 21mu resonance of doped SiC becomes stronger as the C impurity increases. Further laboratory measurements of SiC dust with high fractions of C impurity are urgently needed to test the hypothesis of SiC as the carrier of the 21mu feature.Comment: 14 pages, 3 figures, accepted for publication in ApJ

Symmetry of Dirac Equation and Corresponding Phenomenology

It has been suggested that the high symmetries in the Schr\"odinger equation with the Coulomb or harmonic oscillator potentials may remain in the corresponding relativistic Dirac equation. If the principle is correct, in the Dirac equation the potential should have a form as ${(1+\beta)\over 2}V(r)$ where $V(r)$ is ${-e^2\over r}$ for hydrogen atom and $\kappa r^2$ for harmonic oscillator. However, in the case of hydrogen atom, by this combination the spin-orbit coupling term would not exist and it is inconsistent with the observational spectra of hydrogen atom, so that the symmetry of SO(4) must reduce into SU(2). The governing mechanisms QED and QCD which induce potential are vector-like theories, so at the leading order only vector potential exists. However, the higher order effects may cause a scalar fraction. In this work, we show that for QED, the symmetry restoration is very small and some discussions on the symmetry breaking are made. At the end, we briefly discuss the QCD case and indicate that the situation for QCD is much more complicated and interesting.Comment: 15pages, 3 figures, accepted by International Journal of Modern Physics

Absorbate-Induced Piezochromism in a Porous Molecular Crystal

Atmospherically stable porous frameworks and materials are interesting for heterogeneous solid–gas applications. One motivation is the direct and selective uptake of pollutant/hazardous gases, where the material produces a measurable response in the presence of the analyte. In this report, we present a combined experimental and theoretical rationalization for the piezochromic response of a robust and porous molecular crystal built from an extensively fluorinated trispyrazole. The electronic response of the material is directly determined by analyte uptake, which provokes a subtle lattice contraction and an observable bathochromic shift in the optical absorption onset. Selectivity for fluorinated absorbates is demonstrated, and toluene is also found to crystallize within the pore. Furthermore, we demonstrate the application of electronic structure calculations to predict a physicochemical response, providing the foundations for the design of electronically tunable porous solids with the chemical properties required for development of novel gas-uptake media

Structural Studies on a Mitochondrial Glyoxalase II

Glyoxalase 2 is a β-lactamase fold-containing enzyme that appears to be involved with cellular chemical detoxification. Although the cytoplasmic isozyme has been characterized from several organisms, essentially nothing is known about the mitochondrial proteins. As a first step in understanding the structure and function of mitochondrial glyoxalase 2 enzymes, a mitochondrial isozyme (GLX2-5) from Arabidopsis thaliana was cloned, overexpressed, purified, and characterized using metal analyses, EPR and 1H NMR spectroscopies, and x-ray crystallography. The recombinant enzyme was shown to bind 1.04 ± 0.15 eq of iron and 1.31 ± 0.05 eq of Zn(II) and to exhibit kcat and Km values of 129 ± 10 s-1 and 391 ± 48 μm, respectively, when using S-d-lactoylglutathione as the substrate. EPR spectra revealed that recombinant GLX2-5 contains multiple metal centers, including a predominant Fe(III)Z-n(II) center and an anti-ferromagnetically coupled Fe(III)Fe(II) center. Unlike cytosolic glyoxalase 2 from A. thaliana, GLX2-5 does not appear to specifically bind manganese. 1H NMR spectra revealed the presence of at least eight paramagnetically shifted resonances that arise from protons in close proximity to a Fe(III)Fe(II) center. Five of these resonances arose from solvent-exchangeable protons, and four of these have been assigned to NH protons on metal-bound histidines. A 1.74-Å resolution crystal structure of the enzyme revealed that although GLX2-5 shares a number of structural features with human GLX2, several important differences exist. These data demonstrate that mitochondrial glyoxalase 2 can accommodate a number of different metal centers and that the predominant metal center is Fe(III)Zn(II)