Time-resolved Fourier-transform infrared reflection study on photoinduced phase transition of tetrathiafulvalene-p-chloranil crystal

We have measured temporal change of infrared reflection spectrum of ionic phase oftetrathiafulvalene-p-chloranil (TTF-CA) crystal induced by 10 ns pulsedlaser excitation at 2.35 eV with using a step-scan Fourier-transform infraredspectrometer. The excitation reduced the magnitude of thea _g -mode bands around 980 cm^-1and 1380 cm^-1 and enhanced reflection intensity at 1630 cm^-1. Thetime evolution of both the a _g -mode changes and the enhancementat 1630 cm^-1 are described by the sum of two decay components: one decayedwithin 2 μs and the other showed very gradual decay within the timerange used in the present study. The fractional changes of reflectivity for the fast decaycomponents were almost identical for all a _g modes.The 1630 cm^-1 enhancement can be ascribed to the carbonyl stretchingvibration of CA. The position of this peak shifts slightly to low-wavenumber side from theCA peak of the neutral phase in thermal equilibrium. Consequently, the fast decaycomponent is ascribed to the photoinduced phase. The slow decay component is conceivablydue to the metastable center formed by the excitation, because we could not resolve thespectral change corresponding to the slow component in the range between 1595and 1660 cm^-1, where the carbonyl stretching vibration of TTF-CA is observed.The degree of charge transfer of the photoinduced phase is evaluated to 0.52 ± 0.08 bycomparing the peak position of the transient enhancement with those of the carbonylstretching vibration modes in ionic and neutral phases in thermal equilibrium.     

A 236 GHz Fe3+ EPR Study of Nanoparticles of the Ferromagnetic Room-Temperature Semiconductor Sn1−x Fe x O2 (x = 0.005)

High-frequency (236 GHz) electron paramagnetic resonance (EPR) studies of Fe³⁺ ions at 255 K are reported in a Sn_1?x Fe _x O₂ powder with x = 0.005, which is a ferromagnetic semiconductor at room temperature. The observed EPR spectrum can be simulated reasonably well as the overlap of spectra due to four magnetically inequivalent high-spin (HS) Fe³⁺ ions (S = 5/2). The spectrum intensity is calculated, using the overlap I(BL) + (I(HS1) + I(HS2) + I(HS3) + I(HS4)) × exp(?0.00001B), where B is the magnetic field intensity in Gauss, I represents the intensity of an EPR line (HS1, HS2, HS3, HS4), and BL stands for the baseline (the exponential factor, as found by fitting to the experimental spectrum, is related to the Boltzmann population distribution of energy levels at 255 K, which is the temperature of the sample in the spectrometer). These high-frequency EPR results are significantly different from those at X-band. The large values of the zero-field splitting parameter (D) observed here for the four centers at the high frequency of 236 GHz are beyond the capability of X-band, which can only record spectra of ions with much smaller D values than those reported here.     

Exact solution of the 1D Hubbard model with NN and NNN interactions in the narrow-band limit

In this paper, we propose a family of weighted extended Koch networks based on a class of extended Koch networks. They originate from a r-complete graph, and each node in each r-complete graph of current generation produces mr-complete graphs whose weighted edges are scaled by factor h in subsequent evolutionary step. We study the structural properties of these networks and random walks on them. In more detail, we calculate exactly the average weighted shortest path length (AWSP), average receiving time (ART) and average sending time (AST). Besides, the technique of resistor network is employed to uncover the relationship between ART and AST on networks with unit weight. In the infinite network order limit, the average weighted shortest path lengths stay bounded with growing network order (0 < h < 1). The closed form expression of ART shows that it exhibits a sub-linear dependence (0 < h < 1) or linear dependence (h = 1) on network order. On the contrary, the AST behaves super-linearly with the network order. Collectively, all the obtained results show that the efficiency of message transportation on weighted extended Koch networks has close relation to the network parameters h, m and r. All these findings could shed light on the structure and random walks of general weighted networks.     

ΛN and ΣN Interactions from Lattice QCD

We present our recent study on ΛN and ΣN (isospin I = 3/2) interactions by measuring Nambu–Bethe–Salpeter wave functions on the Lattice QCD. The lattice QCD calculation is performed by using the N _f  = 2 + 1 gauge configurations generated by PACS-CS collaboration together with employing an improved method to obtain potentials in lattice QCD simulations. For the ¹ S ₀ channel, the central ΣN (I = 3/2) potential and the central ΛN (¹ S ₀) potential are found to be very similar. For the spin triplet (³ S ₁?³ D ₁) channels, the central ΛN(³ S ₁?³ D ₁) potential is attractive while the central ΣN(I = 3/2, ³ S ₁?³ D ₁) potentials is repulsive. Tensor potentials, on the other hand, are rather weak in both ΛN and ΣN(I = 3/2) systems.     

Magnetic properties of jet-printer inks containing dispersed magnetite nanoparticles

Two ferrofluid inks for jet-printing, containing magnetite NPs of slightly different average radius (sample A: 6 nm; sample B: 8 nm) were prepared by adding a dispersion of magnetite nanopowders in n-hexane to an insulating ink. Isothermal magnetization loops of inks were measured by means of a vibrating sample magnetometer in the temperature interval 5–300 K up to 70 kOe. The inks were then ejected at room temperature on standard paper by means of either a thermal ink jet head (TIJ; sample A) or a piezoelectric ink jet head (PIJ; sample B). Magnetic properties of prints on paper (FC/ZFC curves, isothermal magnetic loops and related hysteretic properties) were measured between 10 and 300 K using an alternating gradient force magnetometer up to 20 kOe. The inks display a different magnetic behavior with respect to both prints. In particular, the dispersed NPs are characterized by an effective radius (and ensuing magnetic interaction) larger than expected on the basis of the properties of the starting powders. Instead, the NP radii in both prints are closer to the starting values. The printed magnetic films show an almost perfect superparamagnetic (SP) response around room temperature; however, at temperatures lower than 100 K the SP scaling is not observed and both samples behave as interacting superparamagnetic (ISP) materials. The evolution from the SP to the ISP regime is marked by a steady increase in the hysteretic properties of both samples. Particular attention will be paid to the study of magnetic interactions occurring among NPs. The effect of the ejection process on the degree of aggregation of magnetite NPs will be here studied.     

Cluster modeling of three types of double-walled armchair silicon carbide nanotubes

A systematic study of three types of armchair double-walled SiC nanotubes (DWNT) (n,n)@(m,m) (3 ≤ n ≤ 6; 7 ≤ m ≤ 12) using the finite cluster approximation is presented. The geometries of the tubes have been spin optimized using the hybrid functional B3LYP (Becke’s three-parameter exchange functional and the Lee-Yang-Parr correlation functional) and the all electron 3-21G* basis set. The study indicates that the stabilities of the double-walled SiC nanotubes are of the same order as those of single-walled SiC nanotubes suggesting the possibility of experimental synthesis of both single-walled and double-walled SiC nanotubes. The binding energy per atom or the cohesive energy of the double-walled nanotubes depends not only on the number of atoms but also on the coupling of the constituent singlewalled nanotubes and their types. A study of the binding energies, Mulliken charges, density of states and HOMO-LUMO gaps has been performed for all nanotubes from (n,n)@(n + 3,n + 3) to (n,n)@(n + 6,n + 6) (n = 3 ? 6). Type 2 DWNTs do not preserve the coaxial geometry when the difference in the chirality of the outer and inner tubes is 5 or less. For type 3, this occurs when the chirality difference is 4 or less. The gaps of types 2 and 3 DWNTs are lower than those of the corresponding single-walled nanotubes and are significantly less than those of type 1 DWNTs.     

Production of nanostructures on bulk metal samples by laser ablation for fabrication of low-reflective surfaces

Nanostructure formation on bulk noble metals (copper, gold and silver) by a femtosecond laser was studied aiming at the production of low-reflectivity surfaces. The target surface was irradiated with the beam of a 775 nm wavelength and 150 fs pulse duration Ti:sapphire laser. The fluence was in the 16–2000 mJ/cm² range, while the average pulse number was varied between 10 and 1000 depending on the scanning speed of the sample stage. The reflectivity of the treated surfaces was measured with a visible–near-infrared microspectrometer in the 450–800 nm range, while the morphology was studied with a scanning electron microscope. A strong correlation was found between the decreasing reflectivity and the nanostructure formation on the irradiated surface; however, the morphology of silver significantly differed from those of copper and gold. For the two latter metals a dense coral-like structure was found probably as a result of cluster condensation in the ablation plume followed by diffusion-limited aggregation. In the case of silver the surface was covered by nanodroplets, which formation was probably influenced by the ‘spitting’ caused by ambient oxygen absorption in the molten silver followed by its fast release during the resolidification.     

Non-Intersecting Squared Bessel Paths at a Hard-Edge Tacnode

The squared Bessel process is a 1-dimensional diffusion process related to the squared norm of a higher dimensional Brownian motion. We study a model of n non-intersecting squared Bessel paths, with all paths starting at the same point a > 0 at time t = 0 and ending at the same point b > 0 at time t = 1. Our interest lies in the critical regime ab = 1/4, for which the paths are tangent to the hard edge at the origin at a critical time ${t^*\in (0,1)}$ . The critical behavior of the paths for n → ∞ is studied in a scaling limit with time t = t ^* + O(n ^?1/3) and temperature T = 1 + O(n ^?2/3). This leads to a critical correlation kernel that is defined via a new Riemann-Hilbert problem of size 4 × 4. The Riemann-Hilbert problem gives rise to a new Lax pair representation for the Hastings-McLeod solution to the inhomogeneous Painlevé II equation q′′(x) = xq(x) + 2q ³(x) ? ν, where ν = α + 1/2 with α > ?1 the parameter of the squared Bessel process. These results extend our recent work with Kuijlaars and Zhang (Comm Pure Appl Math 64:1305–1383, 2011) for the homogeneous case ν = 0.     

Assortativity of complementary graphs

Newman's measure for (dis)assortativity, the linear degree correlationρ _D , is widely studied although analytic insight into the assortativity of an arbitrary network remains far from well understood. In this paper, we derive the general relation (2), (3) and Theorem 1 between the assortativity ρ _D (G) of a graph G and the assortativityρ _D (G ^c) of its complement G ^c. Both ρ _D (G) and ρ _D (G ^c) are linearly related by the degree distribution in G. When the graph G(N,p) possesses a binomial degree distribution as in the Erd?s-Rényi random graphs G _p (N), its complementary graph G _p ^c (N) = G _{1- p} (N) follows a binomial degree distribution as in the Erd?s-Rényi random graphs G _{1- p} (N). We prove that the maximum and minimum assortativity of a class of graphs with a binomial distribution are asymptotically antisymmetric: ρ _max(N,p) = -ρ _min(N,p) for N → ∞. The general relation (3) nicely leads to (a) the relation (10) and (16) between the assortativity range ρ _max(G)–ρ _min(G) of a graph with a given degree distribution and the range ρ _max(G ^c)–ρ _min(G ^c) of its complementary graph and (b) new bounds (6) and (15) of the assortativity. These results together with our numerical experiments in over 30 real-world complex networks illustrate that the assortativity range ρ _max–ρ _min is generally large in sparse networks, which underlines the importance of assortativity as a network characterizer.     

Sb Magnetic Resonance as a Local Probe for the Gap Formation in the Correlated Semimetal FeSb2

We report on a comparative study of the narrow-band semimetals FeSb₂ and its structural homologue RuSb₂ by means of ^121,123Sb nuclear quadrupole (NQR) and nuclear magnetic resonance (NMR) spectroscopy. From NQR for both compounds two temperature regimes could be identified by use of ¹²³(1/T ₁) measurements. Above 40 K a conventional activated behavior (with Δ/k _B ? 400 K for FeSb₂) dominates in ¹²³(1/T ₁), whereas below 40 K in both systems an unconventional ¹²³(1/T ₁) behavior with a smooth maximum at around 10 K is observed. To analyze this behavior, we propose the presence of T-dependent in-gap states forming a narrow energy level of localized spins with S = ½ near the bottom of the conduction band. These states might have originated from an inherent Sb-deficiency in both compounds. This model enables us to fit the ¹²³(1/T ₁) data in the entire investigated temperature range (2–200 K) for FeSb₂. Ab initio band structure calculations reveal more than a factor of two larger Δ value for RuSb₂ as compared with FeSb₂. This results in dissimilar behavior of ¹²³(1/T ₁) in FeSb₂ and RuSb₂ above 40 K evidencing the inefficiency of thermal activation of electrons over the large energy gap at T ≤ 300 K in RuSb₂ and dominating of quadrupole relaxation channel in RuSb₂ in this temperature range caused by phonon relaxation involving two-phonon (Raman) scattering. In addition, extra wide range field-sweep NMR measurements are performed at various temperatures on FeSb₂ and RuSb₂. The complex broad spectra could be modeled and from the shift of the ¹²¹Sb central transition the 3d component of the shift K _3d (T) could be extracted.     

S-Wave Shape Resonances in the Ps− System

We have investigated the S-wave shape resonance states of the positronium negative ion (Ps^?) system. The resonance poles are traced from H^? system to Ps^? by systematically varying the mass of the positively charged particle from infinitely heavy to one unit of the electron mass. The shape resonances that associated with and lying above the Ps(N = 2, 3, 4 and 5) thresholds are located by employing the complex-coordinate rotation method with highly correlated Hylleraas-type wave functions. It has been shown that the Ps^?(N = 3) shape resonance lies at an energy which is higher than the Ps(N = 4) thresholds and even the Ps^?(N = 4) shape resonance. An explanation was given to shed light on such phenomena.     

Phase portrait ofSU(5) grand unified model

The one-loop effective potential of theSU(5) model is investigated both in high and low temperature approximation. We find the regions of values of coupling constants and temperatures where theSU(5), theSU(4)×U(1) and theSU(3)×SU(2)×U(1) symmetric states are metastable. A general method of such an investigation is proposed. We observe that the domain structure of the Universe with the simultaneous existence of the gauge symmetriesSU(4)×U(1) andSU(3)×SU(2)×U(1) in different domains could take place.     

On the Fundamental Solution of a Linearized Homogeneous Coagulation Equation

We describe the fundamental solution of the equation that is obtained by linearization of the coagulation equation with kernel K(x, y) = (xy)^λ/2, around the steady state f(x) = x ^?(3+λ)/2 with ${\lambda \in (1, 2)}We describe the fundamental solution of the equation that is obtained by linearization of the coagulation equation with kernel K(x, y) = (xy)^λ/2, around the steady state f(x) = x ^−(3+λ)/2 with l ? (1, 2){\lambda \in (1, 2)} . Detailed estimates on its asymptotics are obtained. Some consequences are deduced for the flux properties of the particles distributions described by such models.     

Analytic Structure of Many-Body Coulombic Wave Functions

We investigate the analytic structure of solutions of non-relativistic Schrödinger equations describing Coulombic many-particle systems. We prove the following: Let ψ(x) with \({{\bf x} = (x_{1},\dots, x_{N})\in \mathbb {R}^{3N}}\) denote an N-electron wavefunction of such a system with one nucleus fixed at the origin. Then in a neighbourhood of a coalescence point, for which x ₁ = 0 and the other electron coordinates do not coincide, and differ from 0, ψ can be represented locally as ψ(x) = ψ ⁽¹⁾(x) + |x ₁|ψ ⁽²⁾(x) with ψ ⁽¹⁾, ψ ⁽²⁾ real analytic. A similar representation holds near two-electron coalescence points. The Kustaanheimo-Stiefel transform and analytic hypoellipticity play an essential role in the proof.     

Visible light activated photo-catalytic effect and local structure of iron silicate glass prepared by sol-gel method

A relationship between methylene blue (MB) decomposition ability under visible light and local structure of xFe₂O₃·(100-x)SiO₂ glass abbreviated as xFS prepared by sol-gel method was investigated by ⁵⁷Fe-Mössbauer spectroscopy, X-ray diffractometry (XRD) and ultraviolet-visible light absorption spectroscopy (UV-Vis). Mössbauer spectra of xFS glass with x of 10, 30 and 50 annealed at 1000 °C for 3 h were mainly composed of a paramagnetic doublet due to fayalite (Fe₂SiO₄), and magnetic sextets due to magnetite (Fe₃O₄) or hematite (α-Fe₂O₃). The absorption area (A) of α-Fe₂O₃ gradually increased from 0.0 to 10.3 and 100 % with the increasing Fe₂O₃ content (x) of annealed xFS glass. A leaching test performed by 20 mL of MB aqueous solution and 40 mg of annealed 50FS glass showed that MB concentration decreased from 16.2 to 4.7 μmol L^?1 after 2 h with the first order rate constant of 1.8 × 10^?4 s^?1. These results prove that annealed iron silicate glass containing α-Fe₂O₃ can decompose MB effectively under visible light irradiation.     

Electron scattering from trans 1,3-butadiene molecule: cross-sections, oscillator strength and VUV photoabsorption cross-sections

Electron energy-loss spectra for the butadiene molecule were measured in the scattering angular range of 2.0° to 8.0°, in an energy-loss range from 2 to 50 eV, using 1000 eV incident electrons. The absolute generalized oscillator strength (GOS) and inelastic cross section have been determined for the \hbox{$\tilde{\rm X}^{1}$}?X1A _g  → 1¹B _u transition. The absolute elastic differential cross section was also determined spanning an angular range from 2.0° to 40.0°. From a small angle electron energy-loss spectrum, the optical oscillator distribution (photoabsorption spectrum) for the butadiene molecule was obtained in the 2 to 100 eV photon energy range. Accurate ab initio calculations have been performed, within the First Born Approximation, for generalized oscillator strength (GOS) and excitation energies for the \hbox{$\tilde{\rm X}^{1}$}?X1A _g  → 1¹B _u and \hbox{$\tilde{\rm X}^{1}$}?X1A _g  → 2¹A _g transitions. Our results emphasize the importance of using highly correlated wavefunctions and accurate methodologies in the calculation of the GOS for electron impact-induced electronic transitions in molecules.     

Explicit formulae for Chern–Simons invariants of the hyperbolic orbifolds of the knot with Conway’s notation <Emphasis Type="Italic">C</Emphasis>(2<Emphasis Type="Italic">n</Emphasis>, 3)

We calculate the Chern–Simons invariants of the hyperbolic orbifolds of the knot with Conway’s notation C(2n, 3) using the Schläfli formula for the generalized Chern–Simons function on the family of C(2n, 3) cone-manifold structures. We present the concrete and explicit formula of them. We apply the general instructions of Hilden, Lozano, and Montesinos-Amilibia and extend the Ham and Lee’s methods. As an application, we calculate the Chern–Simons invariants of cyclic coverings of the hyperbolic C(2n, 3) orbifolds.     

One-Dimensional Ising Models with Long Range Interactions: Cluster Expansion,Phase-Separating Point

We consider the phase separation problem for the one-dimensional ferromagnetic Ising model with long-range two-body interaction, J(n) = n ^?2+α , where ${n\in {\rm {I\!N}}}$ denotes the distance of the two spins and ${\alpha \in [0,\alpha_+[}$ with α ₊ = (log 3)/(log 2) ?1. We prove that when α = 0 the localization of the phase separation fluctuates macroscopically with a non-uniform explicit limiting law, while when 0 < α < α ₊ the macroscopic fluctuations disappear and mesoscopic ones appear with a gaussian behavior when conveniently scaled. The mean magnetization profile is also given.     

The Standard Model with one universal extra dimension

Effects of universal extra dimensions on Standard Model observables first arise at the one-loop level. The quantization of this class of theories is therefore essential in order to perform predictions. A comprehensive study of the SU _C(3) × SU _L(2) × U _Y(1) Standard Model defined in a space-time manifold with one universal extra dimension, compactified on the oribifold $S^1/Z_2$ , is presented. The fact that the four-dimensional Kaluza–Klein theory is subjected to two types of gauge transformations is stressed and its quantization under the basis of the BRST symmetry discussed. A SU _C(3) × SU _L(2) × U _Y(1)-covariant gauge-fixing procedure for the Kaluza–Klein excitations is introduced. The connection between gauge and mass eigenstate fields is established in an exact way. An exhaustive list of the explicit expressions for all physical couplings induced by the Yang–Mills, Currents, Higgs, and Yukawa sectors is presented. The one-loop renormalizability of the standard Green’s functions, which implies that the Standard Model observables do not depend on a cut-off scale, is stressed.