Related papers: Electronic and Optical Properties of Functionalize…
Motivated by recent STM experiments, we present a theoretical study of the electronic and magnetic properties of the Mn-induced acceptor level obtained by substituting a single Ga atom in the (110) surface layer of GaAs or in one of the…
We have studied the driving forces governing reconstructions on polar GaN surfaces employing first-principles total-energy calculations. Our results reveal properties not observed for other semiconductors, as for example a strong tendency…
Ballistic semiconductor structures have allowed the realization of optics-like phenomena in electronics, including magnetic focusing and lensing. An extension that appears unique to graphene is to use both n and p carrier types to create…
The optical absorption of a single spherical semiconductor quantum dot in an electrical field is studied taking into account the nonlocal coupling between the field of the light and the polarizability of the semiconductor. These nonlocal…
The low-frequency magneto-optical absorption spectra of bilayer Bernal graphene are studied within the tight-binding model and gradient approximation. The interlayer interactions strongly affect the electronic properties of the Landau…
Local curvature, or bending, of a graphene sheet is known to increase the chemical reactivity presenting an opportunity for templated chemical functionalization. Using first principles calculations based on density functional theory (DFT)…
Density functional theory within the generalized-gradient approximation is used to study the adsorption of the isocyanides CNH and CNCH3 on the gold (111) surface at several coverages. It is found that these molecules are highly selective…
We construct a new X-ray (2--10 keV) luminosity function of Compton-thin active galactic nuclei (AGNs) in the local universe, using the first MAXI/GSC source catalog surveyed in the 4--10 keV band. The sample consists of 37 non-blazar AGNs…
Gallium nitride (GaN) has emerged as an essential semiconductor material for energy-efficient lighting and electronic applications owing to its large direct bandgap of 3.4 eV. Present GaN/AlGaN heterostructures seemingly feature an…
We have studied the high-frequency properties of the non-equilibrium electron gas in GaN samples subjected to electric and magnetic fields. Spectra of the complex tensor of the dynamical mobility have been calculated for THz frequency…
Dense photonic integration promises to revolutionize optical computing and communications. However, efforts towards this goal face unacceptable attenuation of light caused by surface roughness in microscopic devices. Here we address this…
A newly synthesized layered material C2N was investigated based on many- body perturbation theory using GW plus Bethe-Salpeter equation approach. The electronic band gap was determined to be ranging from 3.75 to 1.89 eV from monolayer to…
The optical properties of BAlN and BGaN ternary alloys are investigated using first-principle calculation. Hybrid density functional theory is applied to determine the refractive indices of different alloys. A peculiar non-linear behavior…
We present investigations of the optical properties of stacked InGaN quantum dot layers and demonstrate their advantage over single quantum dot layer structures. Measurements were performed on structures containing a single layer with…
Manipulation of surface architecture of semiconducting nanowires with a control in surface polarity is one of the important objectives for nanowire based electronic and optoelectronic devices for commercialization. We report the growth of…
The properties of a semiconductor get drastically modified when the crystal point group symmetry is broken under an arbitrary strain. We investigate the family of semiconductors consisting of GaAs, GaSb, InAs and InSb, considering their…
Semiconductor heterostructures based on layered two-dimensional transition metal dichalcogenides (TMD) interfaced to gallium nitride (GaN) are excellent material systems to realize broadband light emitters and absorbers. The surface…
Density-functional studies of the electron states in the dilute magnetic semiconductor GaN:Mn reveal major differences for the case of the Mn impurity at the substitutional site Mn_Ga versus the interstitial site Mn_I. The splitting of the…
The ability to precisely control the electronic coupling/decoupling of adsorbates from surfaces is an essential goal. It isimportant for fundamental studies not only in surface science but alsoin several applied domains including, for…
We report on the optoelectronic properties of GaN$(0001)$ and $(1\bar{1}00)$ surfaces after their functionalization with phosphonic acid derivatives. To analyze the possible correlation between the acid's electronegativity and the GaN…