Related papers: First-principles identification of optically effic…
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,…
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…
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…
Defect physics of europium (Eu) doped GaN is investigated using first-principles hybrid density-functional defect calculations. This includes the interaction between the rare-earth dopant and native point defects (Ga and N vacancies) and…
We report direct evidence of two mechanisms responsible for the excitation of optically active Er3+ ions in GaN epilayers grown by metal-organic chemical vapor deposition. These mechanisms, resonant excitation via the higher-lying inner 4f…
We analysed self-consistently photoconversion efficiency of direct-gap A3B5 semicon-ductors based solar cells and optimised their main physical characteristics. Using gallium ar-senide (GaAs) as the example and new efficient optimization…
We report the quantum efficiency of photoluminescence processes of Er optical centers as well as the thermal quenching mechanism in GaN epilayers prepared by metal-organic chemical vapor deposition. High resolution infrared spectroscopy and…
We perform hybrid density functional calculation to study the energetics, electronic properties, optical transitions, and migration barriers of native defects in CaWO$_4$. Oxygen and calcium vacancies are most likely to form in the absence…
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…
We present a first-principles study of defect formation and electronic structure of erbium (Er)-doped yttria (Y$_2$O$_3$). This is an emerging material for spin-photon interfaces in quantum information science due to the narrow linewidth…
We investigate the electronic properties of the (110) cross-sectional surface of Si-doped GaAs using first-principles techniques. We focus on doping configurations with an equal concentration of Si impurities in cationic and anionic sites,…
Colour centres hosted in solid-state materials such as silicon carbide and diamond are promising candidates for integration into chip-scale quantum systems. Specifically, the incorporation of these colour centres within photonic integrated…
Influence of Cd and Se atoms on the quantum efficiency of photon emission through EL2 defects in gallium arsenide single crystals has been investigated. A comparative technique of impurity diffusion in vacuum and arsenic atmospheres has…
Er doped Si light emitting diodes may find important applications in the generation and storage of quantum information. These diodes exhibit an emission efficiency two orders of magnitude higher at reverse bias than forward bias due to…
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…
On-chip erbium-doped optical amplifiers and lasers are essential for realizing fully integrated active silicon photonic circuits, but their performance has been limited by the low gain of amorphous host materials and the difficulty of…
We report first-principles calculations that clarify the formation energies and charge transition levels of native point defects (Ga and O vacancies, interstitials, and a Ga vacancy-O vacancy pair) in corundum structured ${\alpha}$-Ga2O3.…
The enhanced photocatalytic performance of doped graphene(GR)/semiconductor nanocomposites have recently been widely observed, but an understanding of the underlying mechanisms behind it is still out of reach. As a model system to study the…
Rare-earth (RE) doped GaN is of interest for optoelectronics and spintronics and potentially for quantum applications. A fundamental understanding of the interaction between RE dopants and the semiconductor host is key to realizing the…
The enhancement of Er$^{3+}$-based up-conversion for photovoltaics in multilayer porous silicon photonic structures is considered theoretically and experimentally. Transfer matrix simulations are used to assess the increased photonic…