Related papers: First-principles identification of optically effic…
Convergence of density-functional supercell calculations for defect formation energies, charge transition levels, localized defect state properties, and defect atomic structure and relaxation is investigated using the arsenic split…
Photoluminescence, thermally stimulated luminescence (TSL) and EPR characteristics of the Ce3+ doped single crystals of multicomponent Y1Lu2GaxAl5-xO12 and Lu3GaxAl5-xO12 garnets with different Ga contents (x = 0, 1, 2, 3, 4, 5) excited in…
Strontium titanate (SrTiO3) is widely used as a promising photocatalyst due to its unique band edge alignment with respect to the oxidation and reduction potential corresponding to oxygen evolution reaction (OER) and hydrogen evolution…
This work demonstrates photon emission gain, i.e., emission of multiple photons per injected electron, through impact excitation in Er-doped silicon light-emitting diodes (LEDs). Conventional methods for exciting Er ions in silicon suffer…
The use of trivalent erbium (Er$^{3+}$), typically embedded as an atomic defect in the solid-state, has widespread adoption as a dopant in telecommunications devices and shows promise as a spin-based quantum memory for quantum…
We investigate the luminescence properties of 10 nm YAG nanoparticles doped with Ce ions at 0.2%, 4% and 13% that are designed as active probes for Scanning Near field Optical Microscopy. They are produced by a physical method without any…
Erbium-doped \ch{TiO2} materials are promising candidates for advancing quantum technologies, necessitating a thorough understanding of their electronic and crystal structures to tailor their properties and enhance coherence times. This…
Erbium-based materials have long been recognized for their important telecom-band applications, yet their widespread adoption in integrated optoelectronics has been hindered by two fundamental limitations: the difficulty in achieving high…
In the present Ph.D. Thesis we report an experimental investigation on the effects of gamma- and beta-ray irradiation and of subsequent thermal treatment on many types of a-SiO2 materials, differing in the production methods, OH- and…
The electronic structure of the magnetic semiconductor Ga$_{1-x}$Cr$_{x}$N and the effect of Si doping on it have been investigated by photoemission and soft x-ray absorption spectroscopy. We have confirmed that Cr in GaN is predominantly…
Ab-initio calculations for the electronic and optical properties of single-layer (SL) tungsten disulfide (WS$_2$) in the presence of substitutional Erbium defects (Er$_{\rm W}$) are presented, where the W atom is replaced by an Er atom.…
Technological applications of novel metastable materials are frequently inhibited by abundant defects residing in these materials. Using first-principles methods we investigate the point defect thermodynamics and phase segregation in the…
In this study, we designed and optimized the performance of pin junction GaAs/AlGaAs heterojunction nanowire solar cell arrays. It is done by performing coupled optoelectronic simulations to find the optimal doping for the GaAs core and…
Cubic boron arsenide (BAs) stands out as a promising material for advanced electronics, thanks to its exceptional thermal conductivity and ambipolar mobility. However, effective control of p- and n-type doping in BAs poses a significant…
We apply hybrid density functional theory calculations to identify the formation energies and thermodynamic charge transition levels of native point defects, common impurities, and shallow dopants in BAs. We find that boron-related defects…
Structure and energetics of rare-earth (RE) defects and luminescence of RE and related defects in zincblende zinc sulfide (ZnS) are investigated using hybrid density-functional defect calculations. We find that europium (Eu) is stable…
GaAs-based nanowires are among the most promising candidates for realizing a monolithical integration of III-V optoelectronics on the Si platform. To realize their full potential for applications as light absorbers and emitters, it is…
This work presents an in-depth investigation of the properties of complexes composed of hydrogen, silicon or oxygen with carbon, which are major unintentional impurities in undoped GaN. This manuscript is a complement to our previous work…
A Gallium interstitial defect (Ga$_{\textrm{i}}$) is thought to be responsible for the spectacular spin-dependent recombination (SDR) in GaAs$_{1-x}$N$_x$ dilute nitride semiconductors. Current understanding associates this defect with two…
Erbium (Er) ions are the gain medium of choice for fiber-based amplifiers and lasers, offering a long excited-state lifetime, slow gain relaxation, low amplification nonlinearity and noise, and temperature stability compared to…