Related papers: Bulk and nano GaN: Role of Ga d states

Oxygen is the most common unintentional impurity found in GaN. We study the interaction between substitutional oxygen (ON) and the gallium vacancy (VGa) to form a point defect complex in GaN. The formation energy of the gallium vacancy is…

We analyze microscopically the valence and impurity band models of ferromagnetic (Ga,Mn)As. We find that the tight-binding Anderson approach with conventional parameterization and the full potential LDA+U calculations give a very similar…

In this article, we investigate some issues related to the quantification of uncertainties associated with the electrical properties of graphene nanoribbons. The approach is suited to understand the effects of missing information linked to…

The wurtzite phase group III-Nitrides (AlN, GaN, InN) have attracted great interest due to their successful applications in the optoelectronics since the 90's. In this paper we perform a comprehensive study of AlN, GaN and InN structural…

Two-dimensional (2D) transition-metal monochalcogenides have been recently predicted to be potential photo(electro)catalysts for water splitting and photoelectrochemical (PEC) reactions. Differently from the most established InSe, GaSe,…

UV Raman scattering studies show longitudinal optical (LO) mode up to 4th order in wurtzite GaN nanowire system. Frohlich interaction of electron with the long range electrostatic field of ionic bonded GaN gives rise to enhancement in LO…

We report calculated, electronic and related properties of wurtzite and zinc blende gallium nitrides (w-GaN, zb-GaN). We employed a local density approximation (LDA) potential and the linear combination of atomic orbital (LCAO) formalism.…

We investigate etched single-layer graphene nanoribbons with different widths ranging from 30 to 130 nm by confocal Raman spectroscopy. We show that the D-line intensity only depends on the edge-region of the nanoribbon and that…

The steady state packing fraction of a tapped granular bed is studied for different grain shapes via a discrete element method. Grains are monosized regular polygons, from triangles to icosagons. Comparisons with disk packings show that the…

Starting with a spectator quark model developed for the nucleon (N) and the Delta in the physical pion mass region, we extend the predictions of the reaction gamma N -> Delta to the lattice QCD regime. The quark model includes S and D waves…

We report on measurements of the quantum capacitance in graphene as a function of charge carrier density. A resonant LC-circuit giving high sensitivity to small capacitance changes is employed. The density of states, which is directly…

The quasiparticle band structures of four polytypes 3C, 6H, 4H, and 2H of GaP, GaAs, GaSb, InP, InAs, and InSb are computed with high accuracy including spin-orbit interaction applying a recently developed approximate calculation scheme,…

A predicted type-II staggered band alignment with an approximately $1.4 eV$ valence band offset at the $ZnGeN_2/GaN$ heterointerface has inspired novel band-engineered $III-N/ZnGeN_2$ heterostructure-based device designs for applications in…

Single GaN nanowires formed spontaneously on a given substrate represent nanoscopic single crystals free of any extended defects. However, due to the high area density of thus formed GaN nanowire ensembles, individual nanowires coalesce…

In a previous paper [\prb {\bf 50}, 1980 (1994)] we gave account of the nondispersive band first found experimentally at --4.4 eV for CdTe(001) by Niles and H\"ochst. We have characterized this band as a surface--induced bulk state. In a…

The correct treatment of d electrons is of prime importance in order to predict the electronic properties of the prototype chalcopyrite semiconductors. The effect of d states is linked with the anion displacement parameter u, which in turn…

Present work investigates the structural, electronic and magnetic properties of wurtzite (0001) GaN nanowires (NWs) doped with Gd and point defects by employing the GGA+U approximation. We find that Ga vacancies (VGa) exhibit lower…

Coexistence of superconducting and normal components in nanowires at currents below the critical (a "mixed" state) would have important consequences for the nature and range of potential applications of these systems. For clean samples, it…

In this paper we present a detailed analysis of the atomic and electronic structure of GaAs nanowires using first-principles pseudopotential calculations. We consider six different types of nanowires with different diameters all grown along…

Electronic structure and band characteristics for zinc monochalcogenides with zinc-blende- and wurtzite-type structures are studied by first-principles density-functional-theory calculations with different approximations. It is shown that…