The effects of interface morphology on Schottky barrier heights: a case study on Al/GaAs(001)

The problem of Fermi-level pinning at semiconductor-metal contacts is readdressed starting from first-principles calculations for Al/GaAs. We give quantitative evidence that the Schottky barrier height is very little affected by any structural distortions on the metal side---including elongations of the metal-semiconductor bond (i.e. interface strain)---whereas it strongly depends on the interface structure on the semiconductor side. A rationale for these findings is given in terms of the interface dipole generated by the ionic effective charges.Comment: 5 pages, latex file, 2 postscript figures automatically include

Changes in excitatory and inhibitory receptor expression and network activity during induction and establishment of epilepsy in the rat Reduced Intensity Status Epilepticus (RISE) model

The RISE model is an effective system to study the underlying molecular and cellular mechanisms involved in the initiation and maintenance of epilepsy in vivo. Here we profiled the expression of excitatory and inhibitory neurotransmitter receptor subunits and synaptic scaffolding proteins in the hippocampus and temporal lobe and compared these changes with alterations in network activity at specific timepoints during epileptogenesis. Significant changes occurred in all of the ionotropic glutamate receptor subunits tested during epilepsy induction and progression and the profile of these changes differed between the hippocampus and temporal lobe. Notably, AMPAR subunits were dramatically decreased during the latent phase of epilepsy induction, matched by a profound decrease in the network response to kainate application in the hippocampus. Moreover, decreases in the GABAAβ3 subunit are consistent with a loss of inhibitory input contributing to the perturbation of excitatory/inhibitory balance and seizure generation. These data highlight the synaptic reorganisation that mediates the relative hypoexcitability prior to the manifestation of seizures and subsequent hyperexcitability when spontaneous seizures develop. These patterns of changes give new insight into the mechanisms underpinning epilepsy and provide a platform for future investigations targeting particular receptor subunits to reduce or prevent seizures

Quantum Monte Carlo study of silicon self-interstitial defects

We give a brief description of the variational and diffusion quantum Monte Carlo methods and their application to the study of self-interstitial defects in silicon. The diffusion quantum Monte Carlo calculations give formation energies for the most stable defects of about 4.9 eV, which is considerably larger than the values obtained in density functional theory methods. The quantum Monte Carlo results indicate a value for the formation+migration energy of the self-interstitial contribution to self-diffusion of about 5 eV, which is consistent with the experimental data.Peer Reviewe

Elasticity of entangled polymer loops: Olympic gels

In this note we present a scaling theory for the elasticity of olympic gels, i.e., gels where the elasticity is a consequence of topology only. It is shown that two deformation regimes exist. The first is the non affine deformation regime where the free energy scales linear with the deformation. In the large (affine) deformation regime the free energy is shown to scale as $F \propto \lambda^{5/2}$ where $\lambda$ is the deformation ratio. Thus a highly non Hookian stress - strain relation is predicted.Comment: latex, no figures, accepted in PRE Rapid Communicatio

Massage Gun Use at a Lower Frequency Does Not Alter Blood Flow

Data has shown that whole body vibration can affect blood flow velocity in arteries and improves cutaneous blood flow. However, there is very limited information available on therapeutic localized vibration. Massage guns have become very popular with little to no research validating their efficacy. It is currently unknown if massages guns can affect arterial blood flow. PURPOSE: To determine if massage gun treatment at 30Hz improves and retains blood flow in the popliteal artery as compared to a control condition. METHODS: There were 12 participants in this study (8 males and 4 females). The mean age was 22.7±1.6 yrs, the mean height was 181.1± 11.8 cm, and the mean weight was 78.2±16.2 kg. Participants wore shorts that allowed us to access their popliteal artery using ultrasound imaging. Participants wore electrodes to control the measurement of blood flow from widest artery diameter. Participants lay prone with a foam roller under their ankles to slightly elevate their feet. After ten minutes of rest, ultrasound imaging was used to find the participant’s popliteal artery behind the knee and took two baseline measurements. We measured the mean velocity of blood flow (TAmean) and volume flow (VolF). We measured subjects on 4 different days (30Hz at 5 minutes, 30Hz 10 minutes, Control 5 minutes, Control 10 minutes). Measurements of TAmean and VolF were measured at multiple time points after treatment. RESULTS: A two-factor repeated measures analysis was performed. Each subject was measured under all levels of condition (1=30hz 5 min, 4=Control 5 mi, 5=30hz 10 min, 8=Control 10 min) and time (baseline, post, post1-5, 7, 9, 11, 13, 15, 17, 19). TA mean is significantly greater in 30Hz versus control (p=0.0349). TAmean varies across time, and the effect of the condition on TAmean is related to time (p=0.0104). There is not a significant difference in flow between 30Hz and control (p=0.2425). Blood flow varies across time (pCONCLUSION: Use of a massage gun at a lower frequency setting of 30Hz may cause slight increases in velocity but does not increase mean blood flow as compared to control. Lower frequency settings on massage guns may not be benefit blood flow in the massaged muscle group

Excitons in T-shaped quantum wires

We calculate energies, oscillator strengths for radiative recombination, and two-particle wave functions for the ground state exciton and around 100 excited states in a T-shaped quantum wire. We include the single-particle potential and the Coulomb interaction between the electron and hole on an equal footing, and perform exact diagonalisation of the two-particle problem within a finite basis set. We calculate spectra for all of the experimentally studied cases of T-shaped wires including symmetric and asymmetric GaAs/Al$_{x}$Ga$_{1-x}$As and In$_{y}$Ga$_{1-y}$As/Al$_{x}$Ga$_{1-x}$As structures. We study in detail the shape of the wave functions to gain insight into the nature of the various states for selected symmetric and asymmetric wires in which laser emission has been experimentally observed. We also calculate the binding energy of the ground state exciton and the confinement energy of the 1D quantum-wire-exciton state with respect to the 2D quantum-well exciton for a wide range of structures, varying the well width and the Al molar fraction $x$. We find that the largest binding energy of any wire constructed to date is 16.5 meV. We also notice that in asymmetric structures, the confinement energy is enhanced with respect to the symmetric forms with comparable parameters but the binding energy of the exciton is then lower than in the symmetric structures. For GaAs/Al$_{x}$Ga$_{1-x}$As wires we obtain an upper limit for the binding energy of around 25 meV in a 10 {\AA} wide GaAs/AlAs structure which suggests that other materials must be explored in order to achieve room temperature applications. There are some indications that In$_{y}$Ga$_{1-y}$As/Al$_{x}$Ga$_{1-x}$As might be a good candidate.Comment: 20 pages, 10 figures, uses RevTeX and psfig, submitted to Physical Review

A fourfold coordinated point defect in silicon

Due to their technological importance, point defects in silicon are among the best studied physical systems. The experimental examination of point defects buried in bulk is difficult and evidence for the various defects usually indirect. Simulations of defects in silicon have been performed at various levels of sophistication ranging from fast force fields to accurate density functional calculations. The generally accepted viewpoint from all these studies is that vacancies and self interstitials are the basic point defects in silicon. We challenge this point of view by presenting density functional calculations that show that there is a new fourfold coordinated point defect in silicon that is lower in energy

A Geometric Formulation of Quantum Stress Fields

We present a derivation of the stress field for an interacting quantum system within the framework of local density functional theory. The formulation is geometric in nature and exploits the relationship between the strain tensor field and Riemannian metric tensor field. Within this formulation, we demonstrate that the stress field is unique up to a single ambiguous parameter. The ambiguity is due to the non-unique dependence of the kinetic energy on the metric tensor. To illustrate this formalism, we compute the pressure field for two phases of solid molecular hydrogen. Furthermore, we demonstrate that qualitative results obtained by interpreting the hydrogen pressure field are not influenced by the presence of the kinetic ambiguity.Comment: 22 pages, 2 figures. Submitted to Physical Review B. This paper supersedes cond-mat/000627

Interpolated wave functions for nonadiabatic simulations with the fixed-node quantum Monte Carlo method

Simulating nonadiabatic effects with many-body wave function approaches is an open field with many challenges. Recent interest has been driven by new algorithmic developments and improved theoretical understanding of properties unique to electron-ion wave functions. Fixed-node diffusion Monte Caro is one technique that has shown promising results for simulating electron-ion systems. In particular, we focus on the CH molecule for which previous results suggested a relatively significant contribution to the energy from nonadiabatic effects. We propose a new wave function ansatz for diatomic systems which involves interpolating the determinant coefficients calculated from configuration interaction methods. We find this to be an improvement beyond previous wave function forms that have been considered. The calculated nonadiabatic contribution to the energy in the CH molecule is reduced compared to our previous results, but still remains the largest among the molecules under consideration.Comment: 7 pages, 3 figure