Related papers: First-principles identification of optically effic…
Identifying scalable materials systems that exhibit quantum behavior is a central challenge in quantum information science. Point defects in certain wide-bandgap semiconductors are promising in this regard due to the maturity of…
The dependences of the maximum and the half-width of near band-edge photoluminescence of semi-insulating undoped GaAs crystals at 77K on the concentration of background acceptor impurities and the level of excitation in the range from…
We report the optical and dielectric properties in hafnium (Hf)-doped lithium niobate (LN) crystals. We investigated samples of congruent composition with various doping concentration varying from 0 to 8 mol%. The clamped and unclamped…
Silicon films doped with Er and O were prepared by techniques of physical vapor deposition on crystalline silicon, ion beam mixing and oxygen incorporation through Ar+ and O2+ implantation, and thermal annealing. Processing steps were…
We expand here our description of a newly developed simple and effective ab initio method of calculating crystal field coefficients (CFCs) of rare-earth atoms in insulating hosts, focusing on Er in wide band gap oxide hosts MgO, ZnO,…
Light emitting diodes (LEDs) based on Gallium Nitride (GaN) have been revolutionizing various applications in lighting, displays, medical equipment, and other fields. However, their energy efficiency is still below expectations in many…
Modern semiconductor materials are increasingly used in multidisciplinary systems demonstrating cross-interactions between mechanical strains and electronic potentials, which gives rise to ubiquitous applications in high sensitivity,…
Single crystals of LiCaAlF6 undoped and Eu, Na co-doped were studied by electron paramagnetic resonance, radioluminescence and thermally stimulated luminescence techniques applied in a correlated manner. The undoped samples exposed to X-ray…
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…
Enthalpies of formation of gallium interstitials and all the other native point defects in gallium arsenide are calculated using the same well-converged \emph{ab initio} techniques. Using these results, equilibrium concentrations of these…
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…
Gallium selenide (GaSe) is a layered compound, which has been exploited in nonlinear optical applications and photodetectors due to its anisotropic structure and pseudo-direct optical gap. Theoretical studies predicted that its…
Doping is one of the most common strategies for improving the photocatalytic and solar energy conversion properties of TiO$_2$, hence an accurate theoretical description of the electronic and optical properties of doped TiO$_2$ is of both…
Optical properties of GaAsN system with nitrogen concentrations in the range of 0.9-3.7% are studied by full-potential LAPW method in a supercell approach. The E+ transition is identified by calculating the imaginary part of the dielectric…
In a recent letter [Phys. Rev. Lett. 110, 177406 (2013)], presenting a spectroscopic study of the electrons emitted from the GaN p-cap of a forward-biased InGaN/GaN light-emitting diode (LED), the authors observed at least two distinct…
Near infrared color centers in silicon are emerging candidates for on-chip integrated quantum emitters, optical access quantum memories and sensing. We access ensemble G color center formation dynamics and radiation-induced atomic disorder…
With photoelectrochemical water splitting being one of the most promising approaches for clean energy production and storage, the search for efficient photoelectrode materials is greater than ever. Gallium phosphide (GaP) is a…
Two-dimensional graphene exhibits many fascinating properties such as ballistic electronic conduction and quantum Hall effect at room temperature.1-4 Graphene doped electrochemically or through charge-transfer with electron-donor and…
We report the effect of germanium as n-type dopant on the electrical and optical properties of AlxGa1-xN layers grown by plasma assisted molecular-beam epitaxy. The Al content has been varied from x = 0 to 0.66, confirmed by Rutherford…
Identification of complex defect has been a long-sought-after physics problem for controlling the defect population and engineering the useful properties in wide bandgap oxide semiconductors. Here we report a systematic study of (GaZn-VZn)-…