Excitonic absorption spectra and ultrafast dephasing dynamics in arbitrary carbon nanotubes

We illustrate the potential of the density matrix theory for investigation of optical properties of arbitrary single‐walled carbon nanotubes (CNTs). We have performed microscopic calculations of excitonic absorption spectra for CNTs of different chiral angles and diameters. The obtained results are in good agreement with experiments, in particular the excitonic binding energies match well both experiments and ab initio calculations. Furthermore, we show the strength of our approach by presenting calculations of the ultrafast Coulomb driven non‐equilibrium dynamics in CNTs. We find excitation induced dephasing on the picosecond time scale depending on the excitation strength. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

The importance of defects for carbon nanoribbon based electronics

The utilization of graphene nanoribbons for next generation nanoelectronics is commonly expected to depend on the controlled synthesis that yields a low density of defects. Edge roughness and vacancies have been shown to have a large impact on the performance of graphene nanoribbon transistors. In contrast, we show how certain defects can be used to enhance the electronic and magnetic properties of graphene nanoribbons. We explore the properties of hybrid graphene nanoribbons with armchair and zigzag features joined by an array of pentagon–heptagon structural defects. The graphene nanoribbons display an increased density of states at the Fermi level, and half metallicity in absence of external fields. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Maximizing band gaps in two-dimensional photonic crystals by using level set methods

The optimal design of photonic band gaps for two-dimensional square lattices is considered. We use the level set method to represent the interface between two materials with two different dielectric constants. The interface is moved by a generalized gradient ascent method. The biggest gap of GaAs in air that we found is 0.4418 for TM (transverse magnetic field) and 0.2104 for TE (transverse electric field).     

Supercontinuum generation and nonlinear pulse propagation in photonic crystal fiber: influence of the frequency-dependent effective mode area

Numerical simulations are used to study the effect of the frequency dependence of the effective mode area in photonic crystal fiber on supercontinuum generation. We quantify how the frequency dependence of the effective area influences the propagation characteristics through a modified optical shock term and identify the major consequence as a reduction in the extreme long-wavelength edge of the supercontinuum spectrum. Our results show that, for the parameter regimes used in many previous supercontinuum generation experiments using near-infrared femtosecond pump sources around 800 nm, this effect would be expected to be negligible. However, for pumps in the 1000–1500 nm range, the inclusion of this effect would be expected to be crucial for accurate comparison of simulations with experiment.     

First principle study of the cation vacancy in anatase TiO2

Based on first principle FP‐LAPW calculations, we have studied the electronic and magnetic properties of anatase TiO₂ with Ti cation vacancy. We find that the Ti cation vacancy defect can induce a magnetic moment of about 4μ_B/supercell. The magnetic moment mainly comes from p‐orbitals of O atoms which surround the Ti vacancy. We also find that the two Ti vacancies in anatase always coupled ferromagnetically. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Approximation and Reconstruction of the Electrostatic Field in Wire–Plate Precipitators by a Low-Order Model

The numerical computation of the ionic space charge and electric field produced by corona discharge in a wire–plate electrostatic precipitator (ESP) is considered. The electrostatic problem is defined by a reduced set of the Maxwell equations. Since self-consistent conditions at the wire and at the plate cannot be specified a priori, a time-consuming iterative numerical procedure is required. The efficiency of all numerical solvers of the reduced Maxwell equations depends in particular on the accuracy of the initial guess solution. The objectives of this work are two: first, we propose a semianalytical technique based on the Karhunen–Loève (KL) decomposition of the current density field J, which can significantly improve the performance of a numerical solver; second, we devise a procedure to reconstruct the complete electric field from a given J. The approximate solution of the current density field is based on the derivation of an analytical approximation , which, added to a linear combination of few KL basis functions, constitutes an accurate approximation of J. In the first place, this result is useful for optimization procedures of the current density field, which involve the computation of many different configurations. Second, we show that from the current density field we can obtain an accurate estimate for the complete electrostatic field which can be used to speed up the convergence of the iterative procedure of standard numerical solvers.     

Harmonic generation in bismuth triborate (BiB3O6)

We report a study of second- and third-harmonic generation in BiB₃O₆ (BiBO). The effective nonlinearity, phase-matching angle, acceptance bandwidth, and walk-off are calculated and analyzed within the principal planes of the optical indicatrix. In the experiment, the phase-matched harmonic generation is investigated within the xz and yz planes. Also, the temperature dependence of the noncritical phase matching for laser radiation propagating along the z axis is measured for second-harmonic generation (SHG) at crystal temperatures of 25–265^∘C. The corresponding wavelengths of the laser radiation are in the range of 1.16 to 1.34μm. In addition, SHG of 1342-nm radiation of a q-switched Nd:YVO₄ laser system is investigated for noncritical and critical phase matching. The achieved conversion efficiencies are 59% and 20%, respectively. Besides SHG, third-harmonic generation (THG) of 1064-nm, ns laser pulses is investigated. The measured conversion efficiency is as high as 34%. For THG the properties of BiBO are compared with those of BBO and LBO.     

The Lattice Solid Model to Simulate the Physics of Rocks and Earthquakes: Incorporation of Friction

The particle-based lattice solid model developed to study the physics of rocks and the nonlinear dynamics of earthquakes is refined by incorporating intrinsic friction between particles. The model provides a means for studying the causes of seismic wave attenuation, as well as frictional heat generation, fault zone evolution, and localisation phenomena. A modified velocity–Verlat scheme that allows friction to be precisely modelled is developed. This is a difficult computational problem given that a discontinuity must be accurately simulated by the numerical approach (i.e., the transition from static to dynamical frictional behaviour). This is achieved using a half time step integration scheme. At each half time step, a nonlinear system is solved to compute the static frictional forces and states of touching particle-pairs. Improved efficiency is achieved by adaptively adjusting the time step increment, depending on the particle velocities in the system. The total energy is calculated and verified to remain constant to a high precision during simulations. Numerical experiments show that the model can be applied to the study of earthquake dynamics, the stick–slip instability, heat generation, and fault zone evolution. Such experiments may lead to a conclusive resolution of the heat flow paradox and improved understanding of earthquake precursory phenomena and dynamics.     

Time‐resolved ultrafast carrier dynamics in as‐grown nanocrystalline silicon films: the effect of film thickness and grain boundaries

In this letter, we have studied transient photoinduced absorption in as‐grown nanocrystalline silicon films with thickness varied from 5 to 30 nm. Effects of quantum confinement (QC) in z ‐direction and grain boundary distortions alter the carrier dynamics of these films considerably. Based on the determination of critical points in the first Brillouin zone of the band structure of materials, we have time‐resolved the relaxation times of surface‐related states and indirect valleys. When decreasing the film thickness down to the QC limit (∼10 nm) new ultrafast relaxation mechanisms start to play a dominant role in carrier dynamics due to the topological disordering of these ultrathin films. These relaxation mechanisms seem to be related with the traping/de‐traping of the excited carriers prior to recombination. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Nanoscale resistive switching in SrTiO3 thin films

The local conductivity of SrTiO₃ thin films epitaxially grown on SrRuO₃‐buffered SrTiO₃ single crystals has been investigated in detail with an atomic force microscope equipped with a conducting tip (LC‐AFM). These experiments demonstrate that the conductivity of SrTiO₃ thin films originates from nanoscale well‐conducting filaments connecting the surface to the SrRuO₃ bottom electrode. The electrical conduction of the filaments is shown to be reversibly modulated over several orders of magnitude by application of an appropriate electrical field. We analyze the resistive switching by addressing individual filaments with the AFM tip as well as by scanning areas up to the µm scale. Temperature dependent measurements reveal that resistive switching on a macroscopic scale can be traced down to the insulator‐to‐metal transition of the independently switchable filaments. (© 2007 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

High-Order Scheme for a Nonlinear Maxwell System Modelling Kerr Effect

This paper is devoted to the derivation of an efficient numerical scheme for the Kerr–Maxwell system. We begin by studying the 1-D Riemann problem. We obtain a result of existence and uniqueness for large data. Then we develop a high-order Roe solver and exhibit solutions in 1-D and 2-D simulations.     

Comparing the weak and strong gate‐coupling regimes for nanotube and graphene transistors

We present an experimental and theoretical comparison of the weak and strong gate‐coupling regimes that arise for carbon nanotube (CNT) and graphene field‐effect transistors (FETs) in back‐gated and liquid‐gated configuration, respectively. We find that whereas the back‐gate efficiency is suppressed for a liquid‐gated CNT FET, the back gate is still effective in case of a liquid‐gated graphene FET. We calculate the gate‐induced Fermi‐level shifts and induced charge densities. In both strong and weak coupling regimes, nonlinearities occur in the gate dependence of these parameters, which can significantly influence the electronic transport. (© 2009 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)     

Dynamics of Ultracold Bosons in Artificial Gauge Fields—Angular Momentum,Fragmentation, and the Variance of Entropy

We consider the dynamics of two-dimensional interacting ultracold bosons triggered by suddenly switching on an artificial gauge field. The system is initialized in the ground state of a harmonic trapping potential. As a function of the strength of the applied artificial gauge field, we analyze the emergent dynamics by monitoring the angular momentum, the fragmentation as well as the entropy and variance of the entropy of absorption or single-shot images. We solve the underlying time-dependent many-boson Schrödinger equation using the multiconfigurational time-dependent Hartree method for indistinguishable particles (MCTDH-X). We find that the artificial gauge field implants angular momentum in the system. Fragmentation—multiple macroscopic eigenvalues of the reduced one-body density matrix—emerges in sync with the dynamics of angular momentum: the bosons in the many-body state develop non-trivial correlations. Fragmentation and angular momentum are experimentally difficult to assess; here, we demonstrate that they can be probed by statistically analyzing the variance of the image entropy of single-shot images that are the standard projective measurement of the state of ultracold atomic systems.     

The Friedberg–Lee symmetry and minimal seesaw model

The Friedberg–Lee (FL) symmetry is generated by a transformation of a fermionic field q to q+ξz. This symmetry puts very restrictive constraints on allowed terms in a Lagrangian. Applying this symmetry to N fermionic fields, we find that the number of independent fields is reduced to N−1 if the fields have gauge interaction or the transformation is a local one. Using this property, we find that a seesaw model originally with three generations of left- and right-handed neutrinos, with the left-handed neutrinos unaffected but the right-handed neutrinos transformed under the local FL translation, is reduced to an effective theory of minimal seesaw which has only two right-handed neutrinos. The symmetry predicts that one of the light neutrino masses must be zero.     

A Composite Scheme for Gas Dynamics in Lagrangian Coordinates

One cycle of a composite finite difference scheme is defined as several time steps of an oscillatory scheme such as Lax–Wendroff followed by one step of a diffusive scheme such as Lax–Friedrichs. We apply this idea to gas dynamics in Lagrangian coordinates. We show numerical results in two dimensions for Noh's infinite strength shock problem and the Sedov blast wave problem, and for several one-dimensional problems including a Riemann problem with a contact discontinuity. For Noh's problem the composite scheme produces a better result than that obtained with a more conventional Lagrangian code.     

Quantum field theoretical analysis on unstable behavior of Bose-Einstein condensates in optical lattices

We study the dynamics of Bose-Einstein condensates flowing in optical lattices on the basis of quantum field theory. For such a system, a Bose-Einstein condensate shows an unstable behavior which is called the dynamical instability. The unstable system is characterized by the appearance of modes with complex eigenvalues. Expanding the field operator in terms of excitation modes including complex ones, we attempt to diagonalize the unperturbative Hamiltonian and to find its eigenstates. It turns out that although the unperturbed Hamiltonian is not diagonalizable in the conventional bosonic representation the appropriate choice of physical states leads to a consistent formulation. Then we analyze the dynamics of the system in the regime of the linear response theory. Its numerical results are consistent with those given by the discrete nonlinear Schrödinger equation.     

A High-Order WENO Finite Difference Scheme for the Equations of Ideal Magnetohydrodynamics

We present a high-order accurate weighted essentially non-oscillatory (WENO) finite difference scheme for solving the equations of ideal magnetohydrodynamics (MHD). This scheme is a direct extension of a WENO scheme, which has been successfully applied to hydrodynamic problems. The WENO scheme follows the same idea of an essentially non-oscillatory (ENO) scheme with an advantage of achieving higher-order accuracy with fewer computations. Both ENO and WENO can be easily applied to two and three spatial dimensions by evaluating the fluxes dimension-by-dimension. Details of the WENO scheme as well as the construction of a suitable eigen-system, which can properly decompose various families of MHD waves and handle the degenerate situations, are presented. Numerical results are shown to perform well for the one-dimensional Brio–Wu Riemann problems, the two-dimensional Kelvin–Helmholtz instability problems, and the two-dimensional Orszag–Tang MHD vortex system. They also demonstrate the importance of maintaining the divergence free condition for the magnetic field in achieving numerical stability. The tests also show the advantages of using the higher-order scheme. The new 5th-order WENO MHD code can attain an accuracy comparable with that of the second-order schemes with many fewer grid points.     

Supercontinuum generation in a two-dimensional photonic kagome crystal

We demonstrate the generation of ultrabroad spectra in a photonic crystal fiber with a kagome-lattice transverse structure. This two-dimensional periodic photonic lattice allows for strong confinement of light without employing defect states nor using photonic bandgap guiding. Light guiding is mediated by total internal reflection in the intersections of the lattice structure, similar to tapered or micro-structured fibers. The kagome lattice structure is manufactured from a soft glass with a high nonlinearity. Using a Ti:sapphire oscillator as a pump source, we observe for the first time impressive supercontinuum generation in the guided modes of a 2D photonic lattice. Supercontinuum generation is caused by fission and radiation of higher-order solitons in the anomalous dispersion range. Our spectrum encompasses the spectral range from 200 to 1750 nm. The dependence of the continuum on coupling spot location, fiber length, and pump wavelength and power as well as on pulse duration and polarization state is investigated. Using a numerical simulation for the lattice structure, pulse propagation through this structure is theoretically studied. Our model reveals the mechanism of supercontinuuum generation in the 2D photonic structure and explains the essential experimental findings.Electronic supplementary material to this article is avaiable at and accessible for authorized users.     

Chemical approach to the realization of electronic devices in epitaxial graphene

We have shown that nitrophenyl groups may be added to the surface of few‐layer epitaxial graphene (EG) by the formation of covalent carbon–carbon bonds thereby changing the electronic structure and transport properties of EG from near‐metallic to semiconducting. In the present Letter we discuss the opportunities afforded by such chemical processes to engineer device functionality in graphene by modification of the electronic properties without physical patterning.

     

Controlled local filament growth and dissolution in Ag–Ge–Se

Memory cells based on the cation migration and filament formation and rupture in a solid electrolyte have attracted much interest due to low switching voltages and a prospective high scalability. In this study we indirectly visualized the growth and dissolution of the conductive filament in Ag–Ge–Se samples with Ag bottom electrodes by surface analysis with Conductive Atomic Force Microscopy (CAFM). By application of a negative voltage to the inert CAFM tip, conductive filaments were grown on the scanned area and they were dissolved under reversed bias. The local conductivity changes directly corresponded to changes in the topography, i.e. to the filament protrusion and dissolution. Topography changes could be circumvented by limiting the maximum current. By placing the CAFM tip on a random spot on the sample, filaments with a diameter as low as 20 nm were grown by local current–voltage measurements. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)