Consequences of structural disorder on laser properties in quantumwire lasers

The effect of interface-roughness-related disorder on the electronic and optoelectronic properties of a quantum wire structure are studied. It is seen that the disorder causes strong localization in the quasi-one-dimensional system. While the electronic states are seriously perturbed, the density of states is not affected drastically. Optoelectronic properties as reflected in the interband transition related phenomenon are not found to suffer significant deterioration as a result of the disorder. However, the results suggest that intraband relaxation processes may be seriously affected because of electron (hole) states being localized in different regions of the wire     

Phonon growth in a many valley model semiconductor at low lattice temperatures

It is shown how the traditional method of neglecting the energy of acoustic phonons and approximating their distribution by the equipartition law leads to significant errors in the phonon growth rate in a many-valley model semiconductor when the lattice temperature is low.     

Surfactant-mediated solvent-free dealkylative cleavage of ethers and esters and trans-alkylation under neutral conditions

A simple, surfactant-mediated, one-pot, solvent-free dealkylative cleavage of aryl ethers and esters followed by subsequent optional trans-alkylation under essentially neutral conditions has been developed.     

Improved strained HEMT characteristics using double-heterojunctionIn0.65Ga0.35As/In0.52Al0.48As design

The DC and microwave properties of strained In_0.65Ga _0.35As/In₀₅₂Al_0.48As HEMTs (high electron-mobility transistors) with double-heterojunction design are presented. The high sheet carrier density and good carrier confinement give rise to excellent device performance with very low output conductance. For 1×150-μm² long-gate HEMTs, the measured cutoff frequency f_T and maximum frequency of oscillation f_max are as high as 37 and 66 GHz, respectively     

Electron transfer reactions of nickel(III) and nickel(IV) complexes

This review narrates the electron transfer reactions of various nickel(III) and nickel(IV) complexes reported during the period 1981 until today. The reactions have been categorized mainly with respect to the type of nickel complexes. The reactivity of nickel(III) complexes of macrocycles, 2,2′-bipyridyl and 1,10-phenanthroline, peptides and oxime–imine, and of nickel(IV) complexes derived from oxime–imine, oxime and miscellaneous ligands with various organic and inorganic electron donors have been included. Kinetic and mechanistic features associated with such interactions have been duly analyzed. The relevance of Marcus cross-relation equations in the delineation of the electron transfer paths has also been critically discussed.     

Ternary complexes of substituted catechols and catecholamines

Stability constants of the ternary complexes [CuAL] whereA = 5-Nitro-1,10-phenanthroline, bis(2-pyridyl) ketone (DPK) orbis(2-pyridyl)amine (DPA) andL is the dianion of catechol, tiron, protocatechic acid, pyrogallol, 1,8-dihydroxynaphthalene, catecholaldehyde, 2,3-dihydroxynaphthalene, dopamine or adrenaline have been determined by potentiometric titration in dioxane water (1:1 v/v) medium using a SCOGS computer programme. The observed trend of stability is explained on the basis of the nature of substitution over the ligands, chelate ring size and also the composition of mixed solvent in case of DPK. Structural changes in DPK have also been discussed as a function of pH, composition of medium and coordinating mode of the secondary ligand in the ternary complexes.     

Comment on the CP-violating electric charge of the magnetic monopole

It is shown, using an effective theory, that the electric charge that develops on a magnetic monopole, due to the presence of the CP-violating term \([\theta e^2 /(32\pi ^2 )]F_{\mu v}^a \tilde F^{\mu va} \) , does not vanish for massless fermions.     

Parameterization of peptide 13C carbonyl chemical shielding anisotropy in molecular dynamics simulations.

NMR chemical shielding anisotropy (CSA) relaxation is an important tool in the study of dynamical processes in proteins and nucleic acids in solution. Herein, we investigate how dynamical variations in local geometry affect the chemical shielding anisotropy relaxation of the carbonyl carbon nucleus, using the following protocol: 1) Using density functional theory, the carbonyl (13)C' CSA is computed for 103 conformations of the model peptide group N-methylacetamide (NMA). 2) The variations in computed (13)C' CSA parameters are fitted against quadratic hypersurfaces containing cross terms between the variables. 3) The predictive quality of the CSA hypersurfaces is validated by comparing the predicted and de novo calculated (13)C' CSAs for 20 molecular dynamics snapshots. 4) The CSA fluctuations and their autocorrelation and cross correlation functions due to bond-length and bond-angle distortions are predicted for a chemistry Harvard molecular mechanics (CHARMM) molecular dynamics trajectory of Ca(2+)-saturated calmodulin and GB3 from the hypersurfaces, as well as for a molecular dynamics (MD) simulation of an NMA trimer using a quantum mechanically correct forcefield. We find that the fluctuations can be represented by a 0.93 scaling factor of the CSA tensor for both R(1) and R(2) relaxations for residues in helix, coil, and sheet alike. This result is important, as it establishes that (13)C' relaxation is a valid tool for measurement of interesting dynamical events in proteins.