One of the most challenging issues in materials physics is to predict the properties of defects
in matter. Such defects play an important role in functionalizing materials for use in …

We investigate by first-principles pseudopotential calculations the structural properties and
the energetics of undoped and Si-doped unpassivated GaAs nanowires (NWs). On the basis …

We comparatively studied the structural and magnetic properties of ZnS nanowires (NWs)
doped with one or two transition-metal (TM) atoms (Cr, Mn, Fe, Co, and Ni) using first …

The effect of defective structure taking on the electronic and optical properties of InP
nanowire has been investigated. The substitutional and the interstitial doping (X In, XP, X in …

InZnP: Ag nano-rods fabricated by the ion milling method were thermally annealed in the
250~ 350° C temperature range and investigated the optimum thermal annealing conditions …

The thermodynamic behavior of excitonic emission properties in manganese-and zinc-
codoped indium phosphide (InMnP: Zn) diluted magnetic semiconductor (DMS) layers was …

In the present work, we investigate structural stability, electronic and magnetic properties of
InP nanowire (NW) oriented along (111) direction and doped with Mn using first-principles …

We have carried out density functional theory based calculations for understanding the
structural, electronic and magnetic properties of pristine and transition metal (TM) doped …

The crucial importance for implementing nanomaterials to nanotechnology applications is
their characterization in terms of structure and properties. Here we present electronic and …

Structures and magnetic properties of Cr monodoped and bidoped single-wall ZnS
nanotubes are studied with firstprinciples calculations. Formation energies of doped …