Related papers: Assignment of multiband luminescence due to the ga…
Yellow luminescence (YL) is probably the longest and most studied defect-related luminescence band in GaN, yet its electronic structure or chemical identity remain unclear. Most of the theoretical work so far has attributed the feature to…
Multiphoton absorption of wide band-gap semiconductors has shown great prospects in many fundamental researches and practical applications. With intensity-modulated femtosecond lasers by acousto-optic frequency shifters, photocurrents and…
We report accurate energetics of defects introduced in GaN on doping with divalent metals, focussing on the technologically important case of Mg doping, using a model which takes into consideration both the effect of hole localisation and…
We study the formation energies of native point defects in GaN through density-functional theory. In our first-principles scheme, the band edges are positioned in accord with hybrid density functional calculations, thus yielding a band-gap…
We determine atomic and electronic structure, formation energy, stability and magnetic properties of native point defects, such as Gallium (Ga) and Nitrogen (N) vacancies in bulk and at non-polar (10$\overline{1}$0) surface of wurtzite…
Erbium (Er) doped GaN has been studied extensively for optoelectronic applications, yet its defect physics is still not well understood. In this work, we report a first-principles hybrid density functional study of the structure,…
The optoelectronic properties induced by oxygen vacancy defects in MgO(111) monolayers have been studied using hybrid level of DFT method. HSE calculations shows significant reduction in electronic band gap of MgO monolayer as a result of…
Optically-detected magnetic resonance (ODMR) and positron annihilation spectroscopy (PAS) experiments have been employed to study magnesium-doped GaN layers grown by metal-organic vapor phase epitaxy. As the Mg doping level is changed, the…
The demand for GaN Nanowires (NWs)-based optoelectronic devices has rapidly increased over the past few years due to its superior crystalline quality compare to their planar counterparts. However, NWs-based devices face significant…
We uncover the origin of blue luminescence (BL) peak in Mg doped GaN thin film using a combination of experimental X-ray absorption near edge spectroscopy (XANES), first-principles calculations based on density functional theory and full…
GaN is a wide-bandgap semiconductor used in high-efficiency LEDs and solar cells. The solid is produced industrially at high chemical purities by deposition from a vapour phase, and oxygen may be included at this stage. Oxidation represents…
Determining the types and concentrations of vacancies present in intentionally doped GaN is a notoriously difficult and long-debated problem. Here we use an unconventional approach, based on thermal transport modeling, to determine the…
Extreme lattice-mismatched III-V nitrides, such as Bi-incorporated GaN, have been realized experimentally thanks to recent advances in epitaxial growth and characterization techniques. However, theoretical insights into defect-related…
The formation and electronic properties of nitrogen-related defect complexes in $\beta-Ga_2O_3$ are investigated using first-principles calculations. Starting from the energetically favorable $N_{i9}-N_{OI}$ configuration, nitrogen atoms…
We present the studies of magnetic properties of 2 MeV 4He+-irradiated GaN grown by metal-organic chemical-vapor deposition. Particle irradiation allowed controllable introduction of Ga-vacancy in the samples. The magnetic moments with…
The semiconducting behaviour and optoelectronic response of gallium nitride is governed by point defect processes, which, despite many years of research, remain poorly understood. The key difficulty in the description of the dominant…
White light emitting diodes based on III-nitride InGaN/GaN quantum wells currently offer the highest overall efficiency for solid state lighting applications. Although current phosphor-converted white LEDs have high electricity-to-light…
Optical photoluminescence studies are performed in self-ion (Ga+)-implanted nominally doped n-GaN nanowires. A 50-keV Ga+ focused ion beam (FIB) in the fluence range of 1x1014 -2x10^16 ions cm^-2 is used for the irradiation process. A…
The recent progress in formation of two-dimensional (2D) GaN by a migration-enhanced encapsulated technique opens up new possibilities for group III-V 2D semiconductors with a band gap within the visible energy spectrum. Using…
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…