Related papers: Native point defects in HgCdTe infrared detector m…
The defect-activity in halide perovskites remains a critical factor for the application in optoelectronics. The imperfections (vacancies, anti-sites, interstitials) formed in the lattice of the halide perovskites were considered as a main…
Silicon's bandgap inherently restricts its photodetection to wavelengths below 1100 nm, necessitating the integration of costly III-V semiconductors for short-wave infrared applications. Hyperdoping silicon beyond the solid solubility limit…
In this study, we employ a first-principles approach to conduct a comprehensive investigation of the properties of nine common native point defects in cubic boron nitride. This analysis combines standard semi-local and dielectric hybrid…
Chalcogen vacancies in the semiconducting monolayer transition-metal dichalcogenides (TMDs) have frequently been invoked to explain a wide range of phenomena, including both unintentional p-type and n-type conductivity, as well as sub-band…
At wavelengths longwards of the sensitivity of silicon, hybrid structured mercury-cadmium-telluride (HgCdTe) detectors show promise to enable extremely precise radial velocity (RV) measurements of late-type stars. The most advanced near…
Near-surface nitrogen-vacancy centres are critical to many diamond-based quantum technologies such as information processors and nanosensors. Surface defects play an important role in the design and performance of these devices. The…
The nature and concentration of defects near niobium-silicon interfaces prepared with different silicon surface treatments were characterized using current-voltage (I-V), deep level transient spectroscopy (DLTS), and secondary ion mass…
The Dirac point gap at the surface of the antiferromagnetic topological insulator MnBi$_2$Te$_4$ is a highly debated issue. While the early photoemission measurements reported on large gaps in agreement with theoretical predictions, other…
We present a systematic investigation of native point defects and oxygen impurities in GaAs using hybrid functional calculations. Defects are characterized by their structural, electronic, and optical properties. Under thermodynamic…
We have studied the electronic and local magnetic structure of the hydrogen interstitial impurity at the tetrahedral site in diamond-structure Ge, using an empirical tight binding + dynamical mean field theory approach because within the…
Extracting photons from defect centers is challenging due to the high refractive index of typical substrates. For nitrogen-vacancy centers in diamond, reaching saturation count rates above $2.5\times10^5\,\mathrm{counts}/\mathrm{s}$ so far…
A long-wavelength infrared (IR) photodetector based on two-dimensional materials working at room temperature would have wide applications in many aspects in remote sensing, thermal imaging, biomedical optics, and medical imaging. However,…
Graphite crystals used to prepare graphene-based heterostructures are generally assumed to be defect free. We report here scanning tunneling microscopy results that show graphite commonly used to prepare graphene devices can contain a…
We report a comprehensive first-principles study of the thermodynamics and transport of intrinsic point defects in layered oxide cathode materials LiMO$_2$ (M=Co, Ni), using density-functional theory and the Heyd-Scuseria-Ernzerhof screened…
Hydroxyapatite (HAp) is an important component of mammal bones and teeth, being widely used in prosthetic implants. Despite the importance of HAp in medicine, several promising applications involving this material e.g. in photo-catalysis),…
Halide perovskites (HPs) are widely viewed as promising photovoltaic and light-emitting materials for their suitable band gaps in the visible spectrum. Density functional theory (DFT) calculations employing (semi)local exchange-correlation…
A phenomenological model was developed to explain quantitatively, without free parameters, the production of primary defects in silicon after particle irradiation, the kinetics of their evolution toward equilibrium and their influence on…
The irradiation represents a useful tool for determining the characteristics of defects in semiconductors as well as a method to evaluate their degradation, fact with important technological consequences. In this contribution, starting from…
Understanding the magnetic properties of graphenic nanostructures is instrumental in future spintronics applications. These magnetic properties are known to depend crucially on the presence of defects. Here we review our recent theoretical…
Understanding the luminescence of GaN doped with erbium (Er) requires a detailed knowledge of the interaction between the rare-earth dopant and the nitride host, including intrinsic defects and other impurities that may be present in the…