On the quantum and classical scattering times due to charged dislocations in an impure electron gas

We derive the ratio of transport and single particle relaxation times in three and two - dimensional electron gases due to scattering from charged dislocations in semiconductors. The results are compared to the respective relaxation times due to randomly placed charged impurities. We find that the ratio is larger than the case of ionized impurity scattering in both three and two-dimensional electron transport.Comment: 4 pages, 3 figure

Conserved Vibrational Coherence in the Ultrafast Rearrangement of 2-Nitrotoluene Radical Cation

2-Nitrotoluene (2-NT) is a good model for both photolabile protecting groups for organic synthesis and the military explosive 2,4,6-trinitrotoluene (TNT). In addition to the direct C−NO2 bond-cleavage reaction that initiates detonation in TNT, 2-NT undergoes an H atom attack reaction common to the photolabile 2-nitrobenzyl group, which forms the aci-nitro tautomer. In this work, femtosecond pump−probe measure- ments with mass spectrometric detection and density functional theory (DFT) calculations demonstrate that the initially prepared vibrational coherence in the 2-NT radical cation (2- NT+) is preserved following H atom attack. Strong-field adiabatic ionization is used to prepare 2-NT+, which can overcome a modest 0.76 eV energy barrier to H atom attack to form the aci-nitro tautomer as soon as ∼20−60 fs after ionization. Once formed, the aci-nitro tautomer spontaneously loses −OH to form C7H6NO+, which exhibits distinctly faster oscillations in its ion yield (290 fs period) as compared to the 2-NT+ ion (380 fs period). The fast oscillations are attributed to the coherent torsional motion of the aci-nitro tautomer, which has a significantly faster computed torsional frequency (86.9 cm−1) than the 2- NT+ ion (47.9 cm−1). Additional DFT calculations identify reaction pathways leading to the formation of the dissociation products C7H6NO+, C7H7+, and C6H6N+. Collectively, these results reveal a rich picture of coherently and incoherently driven dissociation pathways in 2-NT+

Charged basal stacking fault (BSF) scattering in nitride semiconductors

A theory of charge transport in semiconductors in the presence of basal stacking faults is developed. It is shown that the presence of basal stacking faults leads to anisotropy in carrier transport. The theory is applied to carrier transport in non-polar GaN films consisting of a large number BSFs, and the result is compared with experimental data.Comment: 4 pages, 3 figure

Role of Self-Interaction Effects in the Geometry Optimization of Small Metal Clusters

By combining the Self-Interaction Correction (SIC) with pseudopotential perturbation theory, the role of self-interaction errors inherent to the Local Density Approximation (LDA) to Density Functional Theory is estimated in the determination of ground state and low energy isomeric structures of small metallic clusters. Its application to neutral sodium clusters with 8 and 20 atoms shows that the SIC provides sizeable effects in Na_8, leading to a different ordering of the low lying isomeric states compared with ab-initio LDA predictions, whereas for Na_20, the SIC effects are less pronounced, such that a quantitative agreement is achieved between the present method and ab-initio LDA calculations.Comment: RevTeX, 4 pages, 1 figure available from [email protected]

Determination of the lowest energy structure of Ag8_8 from first-principles calculations

The ground-state electronic and structural properties, and the electronic excitations of the lowest energy isomers of the Ag$_8$ cluster are calculated using density functional theory (DFT) and time-dependent DFT (TDDFT) in real time and real space scheme, respectively. The optical spectra provided by TDDFT predict that the D$_{2d}$ dodecahedron isomer is the structural minimum of Ag$_8$ cluster. Indeed, it is borne out by the experimental findings.Comment: 4 pages, 2 figures. Accepted in Physical Review A as a brief repor

Phase transition and hybrid star in a SU(2) chiral sigma model

We use a modified SU(2) chiral sigma model to study nuclear matter at high density using mean field approach. We also study the phase transition of nuclear matter to quark matter in the interior of highly dense neutron stars. Stable solutions of Tolman-Oppenheimer-Volkoff equations representing hybrid stars are obtained with a maximum mass of 1.69 $M_{\odot}$, radii around 9.3 kms and a quark matter core constituting nearly 55-85 % of the star radii.Comment: 19 pages, 9 figures, accepted for Mod. Phys. Letts.

SU(2) Chiral Sigma Model Study of Phase Transition in Hybrid Stars

We use a modified SU(2) chiral sigma model to study nuclear matter component and simple bag model for quark matter constituting a neutron star. We also study the phase transition of nuclear matter to quark matter with the mixed phase characterized by two conserved charges in the interior of highly dense neutron stars. Stable solutions of Tolman-Oppenheimer-Volkoff equations representing hybrid stars are obtained with a maximum mass of 1.67$M_{\odot}$ and radius around 8.9 km.Comment: 14 pages, 5 figure