Evaluation of the usefulness of a computer‐based learning program to support student learning in pharmacology

This study aims to evaluate the effectiveness of a computer‐based teaching program in supporting and enhancing traditional teaching methods. The program covers the pharmacology of inflammation and has been evaluated with a group of second‐year medical students at a UK university. The study assessed subject‐specific knowledge using a pre‐ and post‐test and surveyed, by questionnaire, students’ perceptions of the usefulness of the program to support learning before and after use. The use of computers for learning amongst this cohort of students was widespread. The results demonstrated an increase in students ‘ knowledge of the pharmacology of inflammation, coupled with a positive attitude towards the CBL program they had used and the advantages that this mode of study may provide in enabling students to manage their own learning. However, students did not feel that the program could substitute for traditional teaching (lectures)

Enhanced excitonic effects in the energy loss spectra of LiF and Ar at large momentum transfer

It is demonstrated that the bootstrap kernel [\onlinecite{sharma11}] for finite values of ${\bf q}$ crucially depends upon the matrix character of the kernel and gives results of the same good quality as in the ${\bf q} \rightarrow 0$ limit. The bootstrap kernel is further used to study the electron loss as well as absorption spectra for Si, LiF and Ar for various values of ${\bf q}$. The results show that the excitonic effects in LiF and Ar are enhanced for values of ${\bf q}$ away from the $\Gamma$-point. The reason for this enhancement is the interaction between the exciton and high energy inter-band electron-hole transitions. This fact is validated by calculating the absorption spectra under the influence of an external electric field. The electron energy loss spectra is shown to change dramatically as a function of ${\bf q}$

All-electron Exact Exchange Treatment of Semiconductors: Effect of Core-valence Interaction on Band-gap and dd-band Position

Exact exchange (EXX) Kohn-Sham calculations within an all-electron full-potential method are performed on a range of semiconductors and insulators (Ge, GaAs, CdS, Si, ZnS, C, BN, Ne, Ar, Kr and Xe). We find that the band-gaps are not as close to experiment as those obtained from previous pseudopotential EXX calculations. Full-potential band-gaps are also not significantly better for $sp$ semiconductors than for insulators, as had been found for pseudopotentials. The locations of $d$-band states, determined using the full-potential EXX method, are in excellent agreement with experiment, irrespective of whether these states are core, semi-core or valence. We conclude that the inclusion of the core-valence interaction is necessary for accurate determination of EXX Kohn-Sham band structures, indicating a possible deficiency in pseudopotential calculations.Comment: 4 pages 2 fig

Hidden quantum phase transition in Mn1−x_{1-x}Fex_{x}Ge: evidence brought by small-angle neutron scattering

The magnetic system of the Mn$_{1-x}$Fe$_{x}$Ge solid solution is ordered in a spiral spin structure in the whole concentration range of $x \in [0 \div 1]$. The close inspection of the small-angle neutron scattering data reveals the quantum phase transition from the long-range ordered (LRO) to short range ordered (SRO) helical structure upon increase of Fe-concentration at $x \in [0.25 \div 0.4]$. The SRO of the helical structure is identified as a Lorentzian contribution, while LRO is associated with the Gaussian contribution into the scattering profile function. The scenario of the quantum phase transition with $x$ as a driving parameter is similar to the thermal phase transition in pure MnGe. The quantum nature of the SRO is proved by the temperature independent correlation length of the helical structure at low and intermediate temperature ranges with remarkable decrease above certain temperature $T_Q$. We suggest the $x$-dependent modification of the effective Ruderman-Kittel-Kasuya-Yosida exchange interaction within the Heisenberg model of magnetism to explain the quantum critical regime in Mn$_{1-x}$Fe$_{x}$Ge.Comment: 6 pages, 4 figure

High magnetic field studies of the Vortex Lattice structure in YBa2Cu3O7

We report on small angle neutron scattering measurements of the vortex lattice in twin-free YBa2Cu3O7, extending the previously investigated maximum field of 11~T up to 16.7~T with the field applied parallel to the c axis. This is the first microscopic study of vortex matter in this region of the superconducting phase. We find the high field VL displays a rhombic structure, with a field-dependent coordination that passes through a square configuration, and which does not lock-in to a field-independent structure. The VL pinning reduces with increasing temperature, but is seen to affect the VL correlation length even above the irreversibility temperature of the lattice structure. At high field and temperature we observe a melting transition, which appears to be first order, with no detectable signal from a vortex liquid above the transition

Theoretical Investigation of Optical Conductivity in Ba [Fe(1-x)Co(x)]2 As2

We report on theoretical calculations of the optical conductivity of Ba [Fe(1-x)Co(x)]2 As2, as obtained from density functional theory within the full potential LAPW method. A thorough comparison with experiment shows that we are able to reproduce most of the observed experimental features, in particular a magnetic peak located at about 0.2 eV which we ascribe to antiferromagnetic ordered magnetic stripes. We also predict a large in-plane anisotropy of this feature, which agrees very well with measurements on detwinned crystals. The effect of Co doping as well as the dependence of plasma frequency on the magnetic order is also investigated

Static and Dynamical Susceptibility of LaO1-xFxFeAs

The mechanism of superconductivity and magnetism and their possible interplay have recently been under debate in pnictides. A likely pairing mechanism includes an important role of spin fluctuations and can be expressed in terms of the magnetic susceptibility chi. The latter is therefore a key quantity in the determination of both the magnetic properties of the system in the normal state, and of the contribution of spin fluctuations to the pairing potential. A basic ingredient to obtain chi is the independent-electron susceptibility chi0. Using LaO1-xFxFeAs as a prototype material, in this report we present a detailed ab-initio study of chi0(q,omega), as a function of doping and of the internal atomic positions. The resulting static chi0(q,0) is consistent with both the observed M-point related magnetic stripe phase in the parent compound, and with the existence of incommensurate magnetic structures predicted by ab-initio calculations upon doping.Comment: 15 pages, 8 figure

Bootstrap approximation for the exchange-correlation kernel of time-dependent density functional theory

A new parameter-free approximation for the exchange-correlation kernel $f_{\rm xc}$ of time-dependent density functional theory is proposed. This kernel is expressed as an algorithm in which the exact Dyson equation for the response as well as a further approximate condition are solved together self-consistently leading to a simple parameter-free kernel. We apply this to the calculation of optical spectra for various small bandgap (Ge, Si, GaAs, AlN, TiO$_2$, SiC), large bandgap (C, LiF, Ar, Ne) and magnetic (NiO) insulators. The calculated spectra are in very good agreement with experiment for this diverse set of materials, highlighting the universal applicability of the new kernel.Comment: 4 figures 5 page