the effect of impurities on quantum chemical parameters of single-walled nanotubes (swnts) was studied using density functional theory (dft). the density of states (dos), fermi energy and thermodynamic energies of (5,5) carbon nanotubes were calculated in the presence of nitrogen impurity. it was found that this nanotube remains metallic after being doped with one nitrogen atom. the partial den...

We analyze and compare candidate crystal structures for the crystalline color superconducting phase that may arise in cold, dense but not asymptotically dense, three-flavor quark matter. We determine the gap parameter ∆ and free energy Ω(∆) for many possible crystal structures within a Ginzburg-Landau approximation, evaluating Ω(∆) to order ∆. In contrast to the two-flavor case, we find a posit...

Differently prepared surfaces of quasicrystalline i-Al-Pd-Mn are analyzed using angle-resolved photoemission in the x-ray and ultraviolet range of photon energies. Depending on the preparation, we find both surfaces with crystalline structure and metallic character, and surfaces with quasicrystalline structural fingerprints and a suppressed density of states at the Fermi level, compatible with ...

We study the unscreened Coulomb interaction in a one-dimensional electron system at low-energy. We use renormalization group methods and a GW approximation, in order to analyze the model. This yields both a strong wavefunction renormalization and a renormalization of the Fermi velocity. The significance of the effects depends on the filling level of the Fermi system. Despite the longrange chara...

to calculation non-bonded interaction of the [cocl6]3- complex embedded in nano ring, we focus on the single wall boron-nitride b18n18 nano ring. thus, the geometry of b18n18 nano ring has been optimized by b3lyp method with epr-ii (electron paramagnetic resonance) basis set and geometry of the [cocl6]3- complex has been optimized at b3lyp method with aldrich’s vtz basis set and stuttgart rsc 1...

Borosilicate BK7 glasses doped with different amounts of CeO2 (0.5,1,1.5%) were prepared by the convenient melting process in this work. DTA analysis proved that 0.5-1% CeO2 has a network modifier role and then up to 1.5% it shows network former role.For structural studies, FT-IR and Raman spectroscopy were carried out. Fermi energy level, direct/ indirect optical band gap and Urbach energy wer...