Related papers: Electronic and Optical Properties of Functionalize…
Integration of organic semiconductors into flexible electronics requires that their optoelectronic properties remain stable under mechanical deformation. Among these, the optical band gap governs exciton generation and limits photovoltaic…
We present a theoretical approach to calculate the {\it local} absorption spectrum of excitons confined in a semiconductor nanostructure. Using the density-matrix formalism, we derive a microscopic expression for the non-local…
Chemical functionalization is a promising route to band gap engineering of graphene. We chemically grafted nitrophenyl groups onto exfoliated single-layer graphene sheets in the form of substrate-supported or free-standing films. Our…
On-chip integration of two-dimensional (2D) materials with unique structures and distinctive properties endow integrated devices with new functionalities and improved performance. With a high flexibility in modifying its properties and a…
This paper presents the experimental results on research of growth processes of GaAs layers on silicon substrates by molecular beam epitaxy. The formation of buffer Si layer in a single growth process has been found to significantly improve…
We have addressed the existing ambiguity regarding the effect of process-induced strain in the underlying GaN layer on AlGaN/GaN heterostructure properties. The bandgaps and offsets for AlGaN on strained GaN are first computed using a cubic…
A true monolithic infrared photonics platform is within reach if strain and bandgap energy can be independently engineered in SiGeSn semiconductors. Herein, we investigate the structural and optoelectronic properties of a 1.5 {\mu}m-thick…
We report, for the first time, the luminescence property of the hydroxyl group surface functionalized quantum dots (QDs) and nanoparticles (NPs) of SnO_2 using low energy excitations of 2.54 eV (488 nm) and 2.42 eV (514.5 nm). This…
We report on very high enhancement of thin layer's absorption through band-engineering of a photonic crystal structure. We realized amorphous silicon (aSi) photonic crystals, where slow light modes improve absorption efficiency. We show…
InGaN-based visible LEDs find commercial applications for solid-state lighting and displays, but lattice mismatch limits the thickness of InGaN quantum wells that can be grown on GaN with high crystalline quality. Since narrower wells…
We present a simple but powerful method to determine the thicknesses of the accumulation and depletion layers and the distribution curve of injected carriers in organic field effect transistors. The conductivity of organic semiconductors in…
Semi-local density functional approximations are widely used. None of them can capture the long-range van der Waals (vdW) attraction between separated subsystems, but they differ remarkably in the extent to which they capture…
Semiconductor nanolasers based on micro disks, photonic crystal cavities, and metallo-dielectric nanocavities have been studied during the last decade for on-chip light source applications. However, practical realization of low threshold,…
Using the ab initio pseudopotential density functional method, we investigate the functionalization of halogen molecules into graphene-based nanostructures with zigzag and armchair edges. We find that halogen molecules adsorb through…
We develop a density functional treatment of non-interacting abelian anyons, which is capable, in principle, of dealing with a system of a large number of anyons in an external potential. Comparison with exact results for few particles…
We perform first-principles calculations of electronic and dielectric properties of bismuthene functionalized with small ligands using first-principle calculations. We show that all functionalized structures have topological insulating (TI)…
The structure and dynamics of atomic oxygen adsorbed on Ag(410) and Ag(210) surfaces have been investigated using density functional theory. Our results show that the adsorption configuration in which O adatoms decorate the upper side of…
Density functional theory applied to a simple ionic material, MgO, is used as a model system to clarify several aspects of electronic driven mechanism to compensate for the diverging electrostatic potential in the polar structures. We…
The energy level alignment at organic/inorganic (o/i) semiconductor interfaces is crucial for any light-emitting or -harvesting functionality. Essential is the access to both occupied and unoccupied electronic states directly at the…
First-principles calculations based on density functional theory (DFT) and the pseudopotential method have been used to study the stoichiometric and reduced SnO2 (110) surface. The ionic relaxations are found to be moderate for both the…