Cancellation of fine-structure splitting in quantum dots by a magnetic field

We demonstrate control of the fine-structure splitting of the exciton emission lines in single InAs quantum dots by the application of an in-plane magnetic field. The composition of the barrier material and the size and symmetry of the quantum dot are found to determine decrease or increase in the linear polarization splitting of the dominant exciton emission lines with increasing magnetic field. This enables the selection of dots for which the splitting can to be tuned to zero, within the resolution of our experiments. General differences in the g-factors and exchange splittings are found for different types of dot.     

Preconditioned iterative methods for coupled discretizations of fluid flow problems

Computational fluid dynamics, where simulations require largecomputation times, is one of the areas of application of highperformance computing. Schemes such as the SIMPLE (semi-implicitmethod for pressure-linked equations) algorithm are often usedto solve the discrete Navier-Stokes equations. Generally theseschemes take a short time per iteration but require a largenumber of iterations. For simple geometries (or coarser grids)the overall CPU time is small. However, for finer grids or morecomplex geometries the increase in the number of iterationsmay be a drawback and the decoupling of the differential equationsinvolved implies a slow convergence of rotationally dominatedproblems that can be very time consuming for realistic applications.So we analyze here another approach, DIRECTO, that solves theequations in a coupled way. With recent advances in hardwaretechnology and software design, it became possible to solvecoupled Navier-Stokes systems, which are more robust but implyincreasing computational requirements (both in terms of memoryand CPU time). Two approaches are described here (band blockLU factorization and preconditioned GMRES) for the linear solverrequired by the DIRECTO algorithm that solves the fluid flowequations as a coupled system. Comparisons of the effectivenessof incomplete factorization preconditioners applied to the GMRES(generalized minimum residual) method are shown. Some numericalresults are presented showing that it is possible to minimizeconsiderably the CPU time of the coupled approach so that itcan be faster than the decoupled one.     

A computational study into the reactivity of epichlorohydrin and epibromohydrin under acidic conditions in the gas phase and aqueous solution

Ab initio molecular orbital calculations have been carried out upon epichlorohydrin and epibromohydrin at the Hartree–Fock (HF) and Møller–Plesset (MP2) levels of theory to explore the reactivity of these species with respect to nucleophilic attack by water under acidic conditions in the gas phase and aqueous solution. These results suggest that nucleophilic attack occurs preferentially at the epoxy carbon atoms in both the gas phase and aqueous solution. These results are in contrast to those found for nucleophilic attack under basic conditions, where attack at the halocarbon atom is competitive with that at the epoxy carbon atoms. Copyright © 2007 John Wiley & Sons, Ltd.     

Global search for minimum energy (H2O)n clusters, n = 3-5

The Gaussian-3 (G3) model chemistry method has been used to calculate the relative deltaG(o) values for all possible conformers of neutral clusters of water, (H2O)n, where n = 3-5. A complete 12-fold conformational search around each hydrogen bond produced 144, 1728, and 20,736 initial starting structures of the water trimer, tetramer, and pentamer. These structures were optimized with PM3, followed by HF/6-31G* optimization, and then with the G3 model chemistry. Only two trimers are present on the G3 potential energy hypersurface. We identified 5 tetramers and 10 pentamers on the potential energy and free-energy hypersurfaces at 298 K. None of these 17 structures were linear; all linear starting models folded into cyclic or three-dimensional structures. The cyclic pentamer is the most stable isomer at 298 K. On the basis of this and previous studies, we expect the cyclic tetramers and pentamers to be the most significant cyclic water clusters in the atmosphere.     

Efficient single photon detection by quantum dot resonant tunneling diodes

We demonstrate that the resonant tunnel current through a double-barrier structure is sensitive to the capture of single photoexcited holes by an adjacent layer of quantum dots. This phenomenon could allow the detection of single photons with low dark count rates and high quantum efficiencies. The magnitude of the sensing current may be controlled via the thickness of the tunnel barriers. Larger currents give improved signal to noise and allow sub-mus photon time resolution.     

Carrier transport effects on the photocurrent spectra of an intrinsic GaAs/AlGaAs multiple quantum well with highly doped AlGaAs contact layers

In this study, we demonstrate how electroreflectance (ER) measurements as a function of bias, and of angle of incidence (θ₀), together with bias dependent photocurrent (PC) measurements, can be used to provide understanding of the complex electric field profile and carrier transport effects in a GaAs/Al_0.3Ga_0.7As multiple quantum well (MQW), grown inside n⁺ contact layers. The PC measurements exhibit split excitonic features, the components of which change in strength with the applied bias. The effect is explained by absorption in the front of the MQW stack, with the back of the stack acting as detector. We examine the θ₀-dependence of the ER lineshape, to determine the depth of the layers responsible for each feature. The ER and PC lineshapes and their bias dependence are explained by the unusual electric field profile across the stack. The field profile appears to be determined by tunnelling of the dark current.