Related papers: Electronic and Optical Properties of Functionalize…
The electronic properties of quasi-one-dimensional anatase TiO2 nanostructures, in the form of thin nanowires having (101) and (001) facets, have been systematically investigated using the standard, hybrid density functional and…
Trapping of charge at surface states is a longstanding problem in GaN that hinders a full realization of its potential as a semiconductor for microelectronics. At least part of this charge originates in molecules adsorbed on the GaN…
In this paper, optical properties of Chiral Graphene Nanoribbons both in longitude and transverse polarization have been studied using density functional theory calculation. It has been shown that the selection rule which have been reported…
Soft-X-ray emission and absorption spectroscopies with their elemental specificity are used to determine the local electronic structure of N atoms in Ga(In)AsN diluted semiconductor alloys (N concentrations about 3%) in view of applications…
Electronic properties of graphene quantum dots (GQDs) constitute a subject of intense scientific interest. Being smaller than 20 nm, GQDs contain confined excitons in all dimensions simultaneously. GQDs feature a non-zero band gap and…
In this work we have employed density-functional theory with hybrid functionals to investigate the atomic and electronic structure of bare and hydrogenated Mn doped ZnO nanowires with small diameter. We determine changes in magnetic and…
The rutile TiO$_2$ (110) surface reduced by the bridging oxygen vacancy, bridging hydroxyl group or Ti interstitial atom has been investigated by calculating their electronic structures using the density functional theory plus U method. It…
GaSb:N displays promise towards realization of optoelectronic devices accessing the mid-infrared wavelength regime. Theoretical and experimental results on its electronic and optical properties are however few. To address this, we present a…
In this study, we present a first-principles investigation of the electronic and optical properties of gallium nitride (GaN) bilayers, focusing on the influence of interlayer sliding and spacing. In contrast to the earlier studies on…
We show that GdN nanoislands can enhance inter-band tunneling in GaN PN junctions by several orders of magnitude, enabling low optical absorption low-resistance tunnel junctions (specific resistivity 1.3 X 10-3 {\Omega}-cm2) for various…
Using a combination of first-principles theory and experiments, we provide a quantitative explanation for chemical contributions to surface-enhanced Raman spectroscopy for a well-studied organic molecule, benzene thiol, chemisorbed on…
We demonstrate second order optical nonlinearity in a silicon architecture through heterogeneous integration of single-crystalline gallium nitride (GaN) on silicon (100) substrates. By engineering GaN microrings for dual resonance around…
Owing to their ability to concentrate light on nanometer scales, plasmonic surface structures are ideally suited for on-chip functionalization with nonlinear or gain materials. However, achieving a high effective quantum yield across a…
In this study, oxygen vacancies and adatoms have been considered on the surface of both hexagonal and triangular ZnO nanowires. Their effect on the electronic structure and optical spectra of the nanowires have been investigated using the…
Electronic, optical and transport properties of the graphene/ZnO heterostructure have been explored using first-principles density functional theory. The results show that Zn12O12 can open a band gap of 14.5 meV in graphene, increase its…
We demonstrate that GaN formed in a Nanowall Network (NwN) morphology can overcome fundamental limitations in optoelectronic devices, and enable high light extraction and effective Mg incorporation for efficient p-GaN. We report the growth…
Rare-earth based lasing action in GaN semiconductor at the telecommunication wavelength of 1.5 micron has been demonstrated at room temperature. We have reported the stimulated emission under the above bandgap excitation from Er doped GaN…
We utilize a single atom substitution technique with spectroscopic imaging in a scanning tunneling microscope (STM) to visualize the anisotropic spatial structure of magnetic and non-magnetic transition metal acceptor states in the GaAs…
The structural and electronic properties of cubic GaN are studied within the local density approximation by the full-potential linear muffin-tin orbitals method. The Ga $3d$ electrons are treated as band states, and no shape approximation…
We demonstrate an efficient double-layer light absorber by exciting plasmonic phase resonances. We show that the addition of grooves can cause mode splitting of the plasmonic waveguide cavity modes and all the new resonant modes exhibit…