First-principles study of fundamental properties and electronic structure of alloys

We have performed first-principles calculations using full-potential augmented-plane-wave method to investigate the fundamental properties of the Cd_1–xZn_xTe alloys. The composition dependence of the lattice constant and the bulk modulus have been estimated from total energy calculations. By means of the analytical fitting the band structures in the vicinity of the Brillouin center a complete set of effective electron- and hole-masses have also been derived. In order to further understand the effects of the chemical bonding on the above macroscopic properties we then studied the relaxation behaviors and the changes of the electronic states upon alloying for x=0.25 system. The results presented here yield a general understanding of the fundamental properties for the Cd_1–xZn_xTe crystals studies.     

Spin chirality and electric polarization in multiferroic compounds (, Er)

Polarized neutron diffraction experiments have been performed on multiferroic materials RMn₂O₅ (R=Ho, Er) under electric fields in the ferroelectric commensurate (CM) and the low-temperature incommensurate (LT-ICM) phases, where the former has the highest electric polarization and the latter has reduced polarization. It is found that, after cooling in electric fields down to the CM phase, the magnetic chirality is proportional to the electric polarization. Also we confirmed that the magnetic chirality can be switched by the polarity of the electric polarization in both the CM and LT-ICM phases. These facts suggest an intimate coupling between the magnetic chirality and the electric polarization. However, upon the transition from the CM to LT-ICM phase, the reduction of the electric polarization is not accompanied by any reduction of the magnetic chirality, implying that the CM and LT-ICM phases contain different mechanisms of the magnetoelectric coupling.     

Integrable structure of melting crystal model with two -parameters

This paper explores integrable structures of a generalized melting crystal model that has two q-parameters q₁,q₂. This model, like the ordinary one with a single q-parameter, is formulated as a model of random plane partitions (or, equivalently, random 3D Young diagrams). The Boltzmann weight contains an infinite number of external potentials that depend on the shape of the diagonal slice of plane partitions. The partition function is thereby a function of an infinite number of coupling constants t₁,t₂,… and an extra one Q. There is a compact expression of this partition function in the language of a 2D complex free fermion system, from which one can see the presence of a quantum torus algebra behind this model. The partition function turns out to be a tau function (times a simple factor) of two integrable structures simultaneously. The first integrable structure is the bigraded Toda hierarchy, which determines the dependence on t₁,t₂,…. This integrable structure emerges when the q-parameters q₁,q₂ take special values. The second integrable structure is a q-difference analogue of the 1D Toda equation. The partition function satisfies thisq-difference equation with respect to Q. Unlike the bigraded Toda hierarchy, this integrable structure exists for any values of q₁,q₂.     

Fabrication of polyaniline/ heterojunction structure using plasma enhanced polymerization technique

The work reports on the fabrication of a p–n heterojunction structure comprised of polyaniline (PANI) and TiO₂ nanoparticles. PANI was deposited by plasma enhanced polymerization on TiO₂ thin film substrates. The structural and the crystalline properties demonstrated the coherence and the substantive interaction of the plasma polymerized PANI molecules with the TiO₂ nanoparticle thin film. The UV–Vis studies of PANI/TiO₂ thin film supported the internalization of PANI with TiO₂ nanoparticles due to π–π^* transition of the phenyl rings with the lone pair electrons () of the nitrogen atom present in the PANI molecules. The I–V characteristics of the PANI/TiO₂ heterojunction structure were obtained in the forward and the reverse biased at applied voltage ranging from −1 V to +1 V with a scan rate of 2 mV/s. The proficient current in the PANI/TiO₂ heterojunction structure was attributed to the well penetration of PANI molecules into the pores of the TiO₂ nanoparticle thin film. The I–V characteristics ensured an efficient charge movement at the junction of PANI/TiO₂ interface and thus, behaved as a typical ohmic system.     

Solutions of the reflection equation for the vertex model

We investigate the possible regular solutions of the boundary Yang–Baxter equation for the fundamental U_q[G₂] vertex model. We find four distinct classes of reflection matrices such that half of them are diagonal while the other half are non-diagonal. The latter are parameterized by two continuous parameters but only one solution has all entries non-null. The non-diagonal solutions do not reduce to diagonal ones at any special limit of the free-parameters.     

HRTEM and EELS investigation of functionalized carbon nanotubes

We have successfully resolved and visualized the structure of some chemically functionalized carbon nanotubes (CNTs) using high-resolution transmission electron microscopy (HRTEM) and electron energy loss spectroscopy (EELS). To represent the chemically modified CNT, we selected three systems. The first system is oxidized and surface thiolated MWCNT, the second system is Dy₃N@C₈₀ peapods prepared by depositing trimetal nitride fullerenes into SWCNT. The formed structure is the Dy₃N@C₈₀@SWCNT. The third system is the conventional C₆₀@SWCNT fullerene peapods, fluorinated by xenon difluoride (XeF₂) up to 18% of F. We achieved detection of very low amount (0.6%) of sulfur and proved covalent bonding onto MWCNT surface. We present EELS imaging of the separated metal clusters inside endohedral metallofullerene peapod bundles and in the fluorinated C₆₀ peapods we show homogeneous fluorination across the whole surface.     

On the calculation of group characters

It is known that characters of irreducible representations of finite Lie algebras can be obtained using the Weyl character formula including Weyl group summations which make actual calculations almost impossible except for a few Lie algebras of lower rank. By starting from the Weyl character formula, we show that these characters can be re-expressed without referring to Weyl group summations. Some useful technical points are given in detail for the instructive example of G₂ Lie algebra.     

Ambiversion of

An analysis including most recent Belle data on X(3872) is performed, using coupled channel Flatté formula. A third sheet pole close to but below D⁰D^*0 threshold is found, besides the bound state/virtual state pole discussed in previous literature. The co-existence of two poles near the D⁰D^*0 threshold indicates that the X(3872) may be of ordinary 2³P₁ state origin, distorted by strong coupled channel effects. The latter manifests itself as a molecular bound state (or a virtual state).     

A novel non-intrusive sampling technique for laser on-line beam monitoring utilising a silicon mirror

The measurement of high speed laser beam parameters during processing is a topic that has seen growing attention over the last few years as quality assurance places greater demand on the monitoring of the manufacturing process. The targets for any monitoring system is to be non-intrusive, low cost, simple to operate, high speed and capable of operation in process. A new ISO compliant system is presented based on the integration of an imaging plate and camera located behind a proprietary mirror sampling device. The general layout of the device is presented along with the thermal and optical performance of the sampling optic. Diagnostic performance of the system is compared with industry standard devices, demonstrating the high quality high speed data which has been generated using this system.     

Effect of the -doping on the electron transport in a structure modulated by the magnetic barriers

The effect of the δ-doping on the electron transport has been theoretically studied in a structure modulated by the magnetic barriers. The results show that the transmission probability and the electron conductance can be dramatically suppressed by the weight of the δ-doping. However, the spin-injection efficiencies are obviously enhanced. In addition, the transmission probability and the spin-polarization both show a periodic profile with the increase of L₂. These interesting features will be more helpful for developing new types of devices.     

Self-similarity of electrostatic fluctuations in a linear magnetised plasma system

In this Letter the long-range time correlations present in the fluctuation data in presence of electrostatic instability in a magnetised dc discharge plasma is presented. The electrostatic instability is generated due to the effect of crossed electric and magnetic field (E×B flow) and has intermediate frequency ranging from 50 to 100 MHz. Hurst exponent, the self-similarity parameter is calculated with the help of different statistical methods suggested by many researchers to determine the long-range time correlation present in fluctuation dynamics in the plasma column. The fluctuation in the ion saturation current is measured by a Langmuir probe for the study and the measurement is done both radially and axially in the plasma system. Estimated results clearly expose the self-similar character of the fluctuations with self-similarity parameters having values from 0.65 to 0.90 through the presence of long-range time correlation.     

Spectral flow invariants and twisted cyclic theory for the Haar state on

In [A.L. Carey, J. Phillips, A. Rennie, Twisted cyclic theory and an index theory for the gauge invariant KMS state on Cuntz algebras. arXiv:0801.4605], we presented a K-theoretic approach to finding invariants of algebras with no non-trivial traces. This paper presents a new example that is more typical of the generic situation. This is the case of an algebra that admits only non-faithful traces, namely SU_q(2) and also KMS states. Our main results are index theorems (which calculate spectral flow), one using ordinary cyclic cohomology and the other using twisted cyclic cohomology, where the twisting comes from the generator of the modular group of the Haar state. In contrast to the Cuntz algebras studied in [A.L. Carey, J. Phillips, A. Rennie, Twisted cyclic theory and an index theory for the gauge invariant KMS state on Cuntz algebras. arXiv:0801.4605], the computations are considerably more complex and interesting, because there are non-trivial ‘eta’ contributions to this index.     

The scattering matrix for size distributions of irregular particles: An application to an olivine sample

We have compared simulated and measured scattering matrices of a size distribution of olivine particles at wavelengths of 633 and 442 nm. The computations were carried out for size distributions of irregularly-shaped compact particles with different average projected areas using the discrete-dipole approximation (DDA). The results of the comparison show that the model of irregularly-shaped particles mimic the observations far better than the results given by spheres, spheroids or rectangular prisms having a wide range in aspect ratios. The computed scattering matrices for size distributions of irregularly-shaped particles do not depend very strongly on the precise particle shape assumed, providing a method to infer certain physical properties of an ensemble of natural dust particles, such as the refractive index, when some information on the sample, as the size distribution, is known a priori.     

Optical properties and g factors of GaAs quantum rods

The Hamiltonian of the zinc-blende quantum rods in the framework of eight-band effective-mass approximation in the presence of external homogeneous magnetic field is given. The electronic structure, optical properties and electron g factors of GaAs quantum rods are investigated. We found that the electron g factors are very sensitively dependent on the dimensions of the quantum rods. As some of the three dimensions increase, the electron g factors decrease. The more the dimensions increase, the more the electron g factors decrease. The dimensions perpendicular to the direction of the magnetic field affect the electron g factors more than the other dimension.     

Effect of the -function potential on the electron transport in a magnetic nanostructure

In this paper, the spin-dependent electron transport is studied in detail in a magnetic nanostructure with a δ-function potential. It is shown that the large spin-polarization can be achieved in such a device, and the degree of the spin-polarization strongly depends on the height of the δ-function potential. It is also shown that the conductance-polarization apparently has the bigger oscillatory magnitudes with the height of δ-function potential increasing. These interesting features will be more helpful for developing new types of devices.     

Radiation characteristics of Botryococcus braunii, Chlorococcum littorale, and Chlorella sp. used for fixation and biofuel production

This paper reports experimental measurements of the radiation characteristics of green algae used for carbon dioxide fixation via photosynthesis. The generated biomass can be used to produce not only biofuels but also feed for animal and food supplements for human consumptions. Particular attention was paid to three widely used species namely Botryococcus braunii, Chlorella sp., and Chlorococcum littorale. Their extinction and absorption coefficients were obtained from normal–normal and normal–hemispherical transmittance measurements over the spectral range from 400 to 800 nm. Moreover, a polar nephelometer was used to measure the scattering phase function of the microorganisms at 632.8 nm. It was observed that for all strains, scattering dominates over absorption. The magnitudes of the extinction and scattering cross-section are functions of the size, shape, and chlorophyll content of each strain in a non-trivial manner. Absorption peaks at 435, 475, and 676 nm corresponding to chlorophyll a and chlorophyll b. The results can be used for scaling and optimization of CO₂ fixation in ponds or photobioreactors as well as in the development of controlled ecological life support systems.     

Structural and optical properties of thermally evaporated thin films

Chalcogenide glass Se₅₅Ge₃₀As₁₅ have amorphous structure in both as-deposited and annealed conditions. The optical properties of the as-deposited and annealed films were studied using spectrophotometric measurements of transmittance, T(λ), and reflectance, R(λ), at normal incidence of light in the wavelength range 200–2500 nm. Neither annealing temperature nor film thickness can influence spectral response on refractive index and absorption index of films. The type of electronic transition responsible for optical properties is indirectly allowed transition with energy gap of 1.94 eV and phonon energy of 40 meV. The dispersion of the refractive index is discussed in terms of the single oscillator Wemple–Didomenico (WD) model. The width of band tails of localized states into the gap (ΔE), the single oscillator energy (E_o), the dispersion energy (E_d), the optical dielectric constant (ε_∞), the lattice dielectric constant (ε_L), the plasma frequency (ω_p) and the free charge carrier concentration (N) were estimated.