Effects of biaxial strain on the impurity-induced magnetism in P-doped graphene and N-doped silicene: a first principles study.

The effects of biaxial strain on the impurity-induced magnetism in P-doped graphene (P-graphene) and N-doped silicene (N-silicene) are studied by means of spin-polarized density functional calculations, using the supercell approach. The calculations were performed for three different supercell sizes 4 × 4, 5 × 5, and 6 × 6, in order to simulate three different dopant concentrations 3.1, 2.0 and 1.4%, respectively. For both systems, the calculated magnetic moment is 1.0 µ B per impurity atom for the three studied concentrations. From the analysis of the electronic structure and the total energy as a function of the magnetization, we show that a Stoner-type model describing the electronic instability of the narrow impurity band accounts for the origin of sp-magnetism in P-graphene and N-silicene. Under biaxial strain the impurity band dispersion increases and the magnetic moment gradually decreases, with the consequent collapse of the magnetization at moderate strain values. Thus, we found that biaxial strain induces a magnetic quantum phase transition in P-graphene and N-silicene.

PbS nanostructured thin films by in situ Cu-doping.

PbS:Cu nanocrystalline films were prepared by chemical bath at temperature of 80 degrees C and deposited on glass substrates. Different Cu-doping levels were obtained changing the volume of the Cu-reagent-solution into the PbS growing solution. X-ray diffraction (XRD) and optical absorption (OA) measurements were carried out to characterize the semiconductor. The morphological changes of the layers were analyzed using an atomic force microscopy. Diffraction X-ray spectra displayed peaks at 2 theta = (26.00, 30.07, 43.10, 51.00 and 53.48), indicating growth on the zinc blende face. The grain size determined by X-rays diffraction of the undoped samples, was found -37 nm, whereas with the doped sample was - 32-25 nm. Raman spectra reports strong band in - 133-140 cm(-1) attributed to a combination of longitudinal and transversal acoustic modes. Optical absorption, forbidden band gap energy (E(g)) shift disclose a shift in the range 1.4-2.4 eV. Gibbs free energy calculation for the Cu doping PbS is also included heading.