Polarizable scattering centers in a fluctuation approach to charge transport

We present a detailed derivation of the fluctuation transport theory, previously developed by Gerlach and Mycielski. The basic idea is the transformation of carrier-densities and fields into the rest frame of each type of carriers and application of the Fluctuation-Dissipation-theorem for monopolar, unscreened carrier densities. In the present paper, the theory is applied to a model system containing free electrons, rigid ions and polarizable neutral donors. We compare our results with experimental data for the polar II–VI-semiconductor Eu₁-_xSr_xS.     

A cytochemical approach to describe oocyte development in the freshwater ostariophysan,Serrasalmus maculatus (Characiformes)

With the intent to provide additional information on the reproductive biology of the ostariophysian fish, the oocyte development in Serrasalmus maculatus is here described under light and electron microscopy by using some cytochemical methods. Our results are discussed considering the cellular processes that drive the oocyte development and comparing to the available information on other groups of fish. Despite the oocyte development to be in general a conserved process, some characteristics of the oocytes of this species come to light. Possibly related to the reproductive strategy of S. maculatus are the absence of oil droplets and the presence of well-developed cortical alveoli. Besides this finding, our results suggest the presence of high content of basic residues in yolk proteins, the presence of acidic polysaccharides in the zona pellucida and a possible involvement of the follicular cells in the steroidogenesis process.     

Can the renormalization of the interaction describe the effects of (A+2)particles-2 holes excitations?

Using the statistical model, an estimate is obtained for the critical angular momentum when the rotational band ofγ-rays ends up in reactions with heavy ions. A model of classical non-quantized rotation is proposed for angular momenta exceeding the critical value. Estimates for the intensity ofγ-radiation and the descend time along the yrast-line proceeding the quantal rotation are given.     

Transport properties of poly(GACT)-poly(CTGA) deoxyribonucleic acid: A ladder model approach

In this paper, based on the tight-binding Hamiltonian model and within the framework of a generalized Green’s function technique, the electronic conduction through the poly(GACT)-poly(CTGA) DNA molecule in SWNT/DNA/SWNT structure has been numerically investigated. In a ladder model, we consider DNA as a planar molecule containing M cells and four further sites (two base pair sites and two backbone sites) in each cell, sandwiched between two semi-infinite single-walled carbon nanotubes (SWNT) as the electrodes. Having relied on Landauer formalism, we focussed on studying the current-voltage characteristics of DNA, the effect of the coupling strength of SWNT/DNA interface and the role of tube radius of nanotube contacts on the electronic transmission through the foregoing structure. Finally, a characteristic time was calculated for the electron transmission, which measures the delay caused by the tunnelling through the SWNT/DNA interface. The results clearly show that the calculated characteristic time and also the conductance of the system are sensitive to the coupling strength between DNA molecule and nanotube contacts.     

A general continuum approach to describe fast electronic transport in pulsed laser irradiated materials: The problem of Coulomb explosion

We present a continuum model, based on a drift-diffusion approach, aimed at describing the dynamics of electronic excitation, heating, and charge-carrier transport in different materials (metals, semiconductors, and dielectrics) under femtosecond and nanosecond pulsed laser irradiation. The laser-induced charging of the targets is investigated at laser intensities above the material removal threshold. It is demonstrated that, for near-infrared femtosecond irradiation, charging of dielectric surfaces causes a sub-picosecond electrostatic rupture of the superficial layers, alternatively called Coulomb explosion (CE), while this effect is strongly inhibited for metals and semiconductors as a consequence of superior carrier transport properties. On the other hand, application of the model to UV nanosecond pulsed laser interaction with bulk silicon has pointed out the possibility of Coulomb explosion in semiconductors. For such regimes a simple analytical theory for the threshold laser fluence of CE has been developed, showing results in agreement with the experimental observations. Various related aspects concerning the possibility of CE depending on different irradiation parameters (fluence, wavelength and pulse duration) and material properties are discussed. This includes the temporal and spatial dynamics of charge-carrier generation in non-metallic targets and evolution of the reflection and absorption characteristics. PACS  79.20.Ds, 52.50.Jm     

A new renormalization approach to the coherent state in the Kondo lattice

We develop a new theoretical approach to study the coherent state in the Kondo lattice. A renormalization operator is introduced to reflect the many-body interactions. A characteristic temperature, below which the system enters a coherent state (i.e., heavy-fermion state), is obtained, and this is in agreement with the recent theoretical result derived from a different method.     

A multichannel shot noise approach to describe synaptic background activity in neurons

Systems driven by Poisson-distributed quantal inputs can be described as “shot noise” stochastic processes. This formalism can apply to neurons which receive a large number of Poisson-distributed synaptic inputs of similar quantal size. However, the presence of temporal correlations between these inputs destroys their quantal nature, and such systems can no longer be described by classical shot noise processes. Here, we show that explicit expressions for various statistical properties, such as the amplitude distribution and the power spectral density, can be deduced and investigated as functions of the correlation between input channels. The monotonic behavior of these expressions allows an one-to-one relation between temporal correlations and the statistics of fluctuations. Multi-channel shot noise processes, therefore, open a way to deduce correlations in input patterns by analyzing fluctuations in experimental systems. We discuss applications such as detecting correlations in networks of neurons from intracellular recordings of single neurons.     

Characteristic features of charge transfer in the interaction between sensitizer molecules and AgCl(I) molecules

We have used flash luminescence stimulation and photoinduced emission methods to study deep impurity states of AgCl(I) microcrystals with adsorbed organic cationic and anionic dye molecules. We have observed that when these molecules interact with the crystal, charge transfer occurs simultaneously from different orbitals and the transfer occurs differently from each orbital: some orbitals of the molecule pick up a negative charge, others at the same time give up a negative charge. We hypothesize that the type of transfer is determined by the overall charge.     

A stochastic approach to hopping transport in semiconductors

Generalized charge carrier equations for hopping transport in semiconductors are derived which include also the widely used Van Roosbroeck equations. The approach is based on a microscopic stochastic interacting particle system which models the hopping of electrons on a random set of states.     

A simple approach to describe hadron production rates in e+e− annihilation

We show that, based on the idea of string fragmentation, the production rates of light flavored mesons and baryons originating from fragmentation can be described by the spin, the binding energy of the particle, and a strangeness suppression factor. Apart from a normalization factor, e⁺e^? data at different center-of-mass energies can be described simultaneously. Applying to the heavy flavor production, we find that our predictions are in good agreement with data.     

Thermal transport and strong mass renormalization in NiCl2-4SC(NH2)2

Several quantum paramagnets exhibit magnetic-field-induced quantum phase transitions to an antiferromagnetic state that exists for H c1 ≤ H ≤ H c2. For some of these compounds, there is a significant asymmetry between the low- and high-field transitions. We present specific heat and thermal conductivity measurements in NiCl2-4SC(NH2)2, together with calculations which show that the asymmetry is caused by a strong mass renormalization due to quantum fluctuations for H ≤ H c1 that are absent for H ≥ H c2. We argue that the enigmatic lack of asymmetry in thermal conductivity is due to a concomitant renormalization of the impurity scattering.     

Real space renormalization group approach to the two-dimensional antiferromagnetic Heisenberg model (I) – The singlet triplet gap

The low energy behaviour of the two-dimensional antiferromagnetic Heisenberg model is studied in the sector with total spins S = 0,1,2 by means of a renormalization group procedure, which generates a recursion formula for the interaction matrix Δ_S ⁽ⁿ⁺¹⁾ of 4 neighbouring “n clusters” of size 2ⁿ × 2ⁿ, n = 1,2,3,... from the corresponding quantities Δ_S ⁽ⁿ⁾. Conservation of total spin S is implemented explicitly and plays an important role. It is shown, how the ground state energies E_S ⁽ⁿ⁺¹⁾, S = 0,1,2 approach each other for increasing n, i.e. system size. The most relevant couplings in the interaction matrices are generated by the transitions 〈S’,m’;n+1|S_q ^*|S,m;n+1〉 between the ground states |S,m;n+1〉 (m = -S,...,S) on an (n+1)-cluster of size 2ⁿ⁺¹ × 2ⁿ⁺¹, mediated by the staggered spin operator S_q ^*.     

A quasi-two-dimensional charge transport model of AlGaN/GaN high electron mobility transistors (HEMTs)

A quasi-two-dimensional charge transport model of AlGaN/GaN high electron mobility transistor has been developed that is capable of accurately predicting the drain current as well as small-signal parameters such as drain conductance and device transconductance. This model built up with incorporation of fully and partially occupied sub-bands in the interface quantum well, combined with a numerically self-consistent solution of the Schrödinger and Poisson equations. In addition, nonlinear polarization effects, self-heating, voltage drops in the ungated regions of the device are also taken into account. Also, to develop the model, the accurate two-dimensional electron gas mobility and the electron drift velocity have been used. The calculated model results are in very good agreement with existing experimental data for Al_mGa_1−mN/GaN HEMT devices with Al mole fraction within the range from 0.15 to 0.50, especially in the linear regime of I–V curve.     

A hybrid (Monte Carlo/deterministic) approach for multi-dimensional radiation transport

A novel hybrid Monte Carlo transport scheme is demonstrated in a scene with solar illumination, scattering and absorbing 2D atmosphere, a textured reflecting mountain, and a small detector located in the sky (mounted on a satellite or a airplane). It uses a deterministic approximation of an adjoint transport solution to reduce variance, computed quickly by ignoring atmospheric interactions. This allows significant variance and computational cost reductions when the atmospheric scattering and absorption coefficient are small. When combined with an atmospheric photon-redirection scheme, significant variance reduction (equivalently acceleration) is achieved in the presence of atmospheric interactions.     

Microwave transport approach to the coherence of interchain hopping in (TMTSF)2PF6

We report a microwave study of the longitudinal and transverse transport properties of the quasi-one-dimensional organic conductor (TMTSF)₂PF₆ in its normal phase. The contactless technique have provided a direct measurement of the temperature profile of the resistivity along the b' direction and in magnetic fields up to 14 T. A characteristic energy scale ( K) has been observed which delimits a transient regime from an insulating to a metallic behavior. This anomalous profile is discussed in terms of the onset of coherent transport properties along the b' direction below 40 K. This is also supported by the observation of a finite longitudinal and transverse magnetoresistances only below 40 K, indicative of a two-dimensional regime. Below T_x, however, strong deviations with respect to a Fermi liquid behavior are evidenced. Received 27 January 1999     

Theoretical ROVibrational Energies (TROVE): A robust numerical approach to the calculation of rovibrational energies for polyatomic molecules

We present a new computational method with associated computer program TROVE (Theoretical ROVibrational Energies) to perform variational calculations of rovibrational energies for general polyatomic molecules of arbitrary structure in isolated electronic states. The (approximate) nuclear kinetic energy operator is represented as an expansion in terms of internal coordinates. The main feature of the computational scheme is a numerical construction of the kinetic energy operator, which is an integral part of the computation process. Thus the scheme is self-contained, i.e., it requires no analytical pre-derivation of the kinetic energy operator. It is also general, since it can be used in connection with any internal coordinates. The method represents an extension of our model for pyramidal XY₃ molecules reported previously [S.N. Yurchenko, M. Carvajal, P. Jensen, H. Lin, J.J. Zheng, W. Thiel, Mol. Phys. 103 (2005) 359]. Non-rigid molecules are treated in the Hougen-Bunker-Johns approach [J.T. Hougen, P.R. Bunker, J.W.C. Johns, J. Mol. Spectrosc. 34 (1970) 136]. In this case, the variational calculations employ a numerical finite basis representation for the large-amplitude motion using basis functions that are generated by Numerov-Cooley integration of the appropriate one-dimensional Schrödinger equation.     

A new theoretical approach to the encapsulation of small molecules in zeolites

We present a new theoretical method to study the encapsulation of small molecules such as H₂, O₂, N₂, Ar and CH₄ in the Cs₃Na₉-A zeolite. To study the properties of encapsulated molecules, we used the Fermi-Dirac like statistics. The density of states, the distribution function, average binding energy and the average activation energy of encapsulated molecules are calculated. As the number of encapsulated molecules in zeolite cavities increases, the higher energy states in the cavities are gradually filled and, consequently, the activation energy for decapsulation is lowered. We also calculated the fraction of molecules with higher energy than their activation energy, revealing that the activation energy for decapsulation depends not only on the temperature but also on the number of the encapsulated molecules.     

Su(4) approach to fourfold degenerate electronic states of some hexafluoride molecules

We show that two appropriate realizations of the su(4) algebra allow the construction of all electronic operators needed for the study of vibronic and rovibronic interactions in a G^′ electronic state. In each case a full bosonic realization is made and all matrix elements are calculated. Illustrations of our formalism and comparisons with previous approaches are made in the case of ν₅(F_2g) and ν₃(F_1u) modes.