First principle calculations were performed using Density functional theory within the local spin density approximation (LSDA) to understand the electronic properties of Au(100)+TBT system and compare the results with Au(100) and bulk Au properties. Band structure, the total DOS and charge density for these materials are calculated. We found that the HOMO for Au(100)+TBT becomes broader than Au...

p { margin-bottom: 0.1in; direction: rtl; line-height: 120%; text-align: right; }a:link { color: rgb(0, 0, 255); } In this paper, the reported experimental data related to electrical transport properties in bulk ZnO, ZnMgO/ZnO and ZnMgO/ZnO/ZnMgO single and double heterostructures were analyzed quantitavely and the most important scattering parameters on controlling electron concentratio...

In this research, structural and electronic properties of ZnCdn-1Ten clusters (n=1-10) have been studied by formalism of density functional theory and using the projector augmented wave within local density approximation. The structural properties (such as bond length/angle and coordination number), electronic and optical properties (such as binding energy, Kohn-Sham spect...

the x-ray charge density analysis of a hydroxynaphthoquinnne derivative was obtained by multipolar hansen-coppens formalism refinement through high resolution x-ray diffraction data at 100(1) k. the molecularproperties of the title compound resulted from the combined experimental and the quantum theory of atoms inmolecules (qtaim) studies. the topological properties of the covalent bonds and of...

Comparisons of cosmological models to current data show that the presence of a nontrivial feature in the primordial power spectrum of fluctuations, around the scale k ∼ 0.05hMpc−1, is an open and exciting possibility, testable in a near future. This could set new constraints on inflationary models. In particular, current data favour a ΛCDM model with a steplike spectrum, and more power on small...

Using only the current empirical information on the nucleon electromagnetic form factors we map out the transverse charge density in proton and neutron as viewed from a light front moving towards a transversely polarized nucleon. These charge densities are characterized by a dipole pattern, in addition to the monopole field corresponding with the unpolarized density. Furthermore, we use the lat...

First principle calculations were performed using Density functional theory within the local spin density approximation (LSDA) to understand the electronic properties of Au(100)+TBT system and compare the results with Au(100) and bulk Au properties. Band structure, the total DOS and charge density for these materials are calculated. We found that the HOMO for Au(100)+TBT becomes broader than Au...