Localization-enhanced biexciton binding in semiconductors

The influence of excitonic localization on the binding energy of biexcitons is investigated for quasi-three-dimensional and quasi-two-dimensional AlxGa1−xAs structures. An increase of the biexciton binding energy is observed for localization energies comparable to or larger than the free biexciton binding energy. A simple analytical model for localization in the weak confinement regime ascribes the increase to a quenching of the additional kinetic energy of the exciton-exciton motion in the biexciton

Transient four-wave mixing in T-shaped GaAs quantum wires

The binding energy of excitons and biexcitons and the exciton dephasing in T-shaped GaAs quantum wires is investigated by transient four-wave mixing. The T-shaped structure is fabricated by cleaved-edge overgrowth, and its geometry is engineered to optimize the one-dimensional confinement. In this wire of 6.6×24 nm2 size, we find a one-dimensional confinement of more than 20 meV, an inhomogeneous broadening of 3.4 meV, an exciton binding energy of 12 meV, and a biexciton binding energy of 2.0 meV. A dispersion of the homogeneous linewidth within the inhomogeneous broadening due to phonon-assisted relaxation is observed. The exciton acoustic-phonon-scattering coefficient of 6.1±0.5 μeV/K is larger than in comparable quantum-well structures

The contribution of parental alcohol use disorders and other psychiatric illness to the risk of alcohol use disorders in the offspring

BACKGROUND: Few population based studies have investigated associations between parental history of alcoholism and the risk of alcoholism in offspring. The aim was to investigate in a large cohort the risk of Alcohol Use Disorders (AUD) in the offspring of parents with or without AUD and with or without hospitalisation for other psychiatric disorder (OPD). METHODS: Longitudinal birth cohort study of 7177 men and women born in Copenhagen between October 1959 and December 1961. Cases of AUD were identified in three Danish health registers and cases of OPD in the Danish Psychiatric Central Register. Offspring registration with AUD was analyzed in relation to parental registration with AUD and OPD. Covariates were offspring gender and parental social status. RESULTS: Both maternal and paternal registration with AUD significantly predicted offspring risk of AUD (odds ratios 1.96; 95% CI 1.42-2.71 and 1.99; 95% CI 1.54-2.68, respectively). The association between maternal, but not paternal, OPD and offspring AUD was also significant (odds ratios 1.46; 95% CI 1.15-1.86 and 1.26; 95% CI 0.95-1.66, respectively). Other predictors were male gender and parental social status. A significant interaction was observed between paternal AUD and offspring gender on offspring AUD, and stratified analyses showed particularly strong associations of both paternal and maternal AUD with offspring AUD in female cohort members. CONCLUSIONS: Parental AUD was associated with an increased risk of offspring AUD independent of other significant predictors, such as gender, parental social status and parental psychiatric hospitalisation with other diagnoses. Furthermore, this association appeared to be stronger among female than male offspring. The results suggest that inherited factors related to alcoholism are at least as important in determining the risk of alcoholism among daughters as among sons

Remediating Over-Produced and Contaminated Aquifers by Artificial Recharge from Surface Waters

Recharging from open-surface water resources is investigated as a method for remediation of over-produced and contaminated aquifers. The hydraulic and contaminant modeling using the Modflow-2000 and MT3DMS simulation software are resorted for evaluation of the available options. Methodology is developed and illustrated for reviewing the alternative remediation approaches for optimal selection of the best remediation approach to aquifer recharging from surface waters. The effectiveness of the present systematic approach is demonstrated by identifying the best choice among the multifunctional artificial recharge options available for the Great Forest Park in Debrecen, Hungary

Structure, dynamics, and reactivity of hydrated electrons by ab initio molecular dynamics

Understanding the properties of hydrated electrons, which were first observed using pulse radiolysis of water in 1962, is crucial because they are key species in many radiation chemistry processes. Although time-resolved spectroscopic studies and molecular simulations have shown that an electron in water (prepared, for example, by water photoionization) relaxes quickly to a localized, cavity-like structure similar to 2.5 angstrom in radius, this picture has recently been questioned. In another experimental approach, negatively charged water clusters of increasing size were studied with photoelectron and IR spectroscopies. Although small clusters can bind an excess electron, their character is very different from bulk hydrated species. As data on electron binding in liquid water have become directly accessible experimentally, the cluster-to-bulk extrapolations have become a topic of lively debate. Quantum electronic structure calculations addressing experimental measurables have, until recently, been largely limited to small clusters; extended systems were approached mainly with pseudopotential calculations combining a classical description of water with a quantum mechanical treatment of the excess electron. In this Account, we discuss our investigations of electrons solvated in water by means of ab initio molecular dynamics simulations. This approach, applied to a model system of a negatively charged cluster of 32 water molecules, allows us to characterize structural, dynamical, and reactive aspects of the hydrated electron using all of the system's valence electrons. We show that under ambient conditions, the electron localizes into a cavity close to the surface of the liquid cluster. This cavity is, however, more flexible and accessible to water molecules than an analogous area around negatively charged ions. The dynamical process of electron attachment to a neutral water cluster is strongly temperature dependent. Under ambient conditions, the electron relaxes in the liquid cluster and becomes indistinguishable from an equilibrated, solvated electron on a picosecond time scale. In contrast, for solid, cryogenic systems, the electron only partially localizes outside of the cluster, being trapped in a metastable, weakly bound ``cushion-like'' state. Strongly bound states under cryogenic conditions could only be prepared by cooling equilibrated, liquid, negatively charged clusters. These calculations allow us to rationalize how different isomers of electrons in cryogenic clusters can be observed experimentally. Our results also bring into question the direct extrapolation of properties of cryogenic, negatively charged water clusters to those of electrons in the bulk liquid. Ab initio molecular dynamics represents a unique computational tool for investigating the reactivity of the solvated electron in water. As a prototype, the electron proton reaction was followed in the 32-water cluster. In accord with experiment, the molecular mechanism is a proton transfer process that is not diffusion limited, but rather controlled by a proton-induced deformation of the excess electron's solvent shell. We demonstrate the necessary ingredients of a successful density functional methodology for the hydrated electron that avoids potential pitfalls, such as self-interaction error, insufficient basis set, or lack of dispersion interactions. We also benchmark the density functional theory methods and outline the path to faithful ab initio simulations of dynamics and reactivity of electrons solvated in extended aqueous systems