Related papers: Acceptor and donor impurity levels in hexagonal-di…

The silicon vacancy ($V_{Si}$) in 4H-SiC at its cubic site (V2-center) has shown significant promise for quantum technologies, due to coherent spin states, the mature material system, and stable optical emission. In these SiC-based…

The thermodynamics of several reactions involving atomic and molecular hydrogen with group-III acceptors is investigated. The results provide a first-principles-level account of thermally- and carrier-activated processes involving these…

Doping of strongly layered ionic oxides is an established paradigm for creating novel electronic behavior. This is nowhere more apparent than in superconductivity, where doping gives rise to high temperature superconductivity in cuprates…

Zincblende copper iodide has been attracting growing interest as p-type semiconductor for applications in transparent electronics and transparent thermoelectrics. A key step towards technological applications is the possibility to enhance…

Dispersed impurities in diamond present a flourishing platform for research in quantum informatics, spintronics and single phonon emitters. Based on the vast pool of experimental and theoretical work describing impurity atoms in diamond, we…

Intense "blue-green" phosphorescence is commonly observed in near colourless lab-grown high-pressure high-temperature (HPHT) diamonds following optical excitation at or above the indirect bandgap. We have employed a holistic combination of…

We investigate the effect of a non-magnetic donor impurity located at the surface of the SnTe topological crystalline insulator. In particular, the changes on the surface states due to a Sb impurity atom are analyzed by means of ab initio…

We have evaluated the successes and failures of the Hubbard-corrected density functional theory (DFT+U) approach to study Mg doping of LiCoO$_2$. We computed the effect of the U parameter on the energetic, geometric and electronic…

Fluorescent paramagnetic defects in solids have become attractive systems for quantum information processing in the recent years. One of the leading contenders is the negatively charged nitrogen-vacancy defect in diamond with visible…

The hole energy spectrum with the ion of an acceptor impurity in the quantum dot has been calculated using the spherical approximation of the multiband Luttinger model. The dependence of the hole energy levels on the impurity location in…

Hydrogen, introduced into crystalline (c-) or amorphous (a-) silicon (Si), plays an important role in improving Si properties for photovoltaics application. Low temperature proton implantation in c-Si and a-Si or H-doping of Si films…

Hydrogenated amorphous silicon (a-Si:H) is a material having an intrinsically high radiation hardness that can be deposited on flexible substrates like Polyimide. For these properties a-Si:H can be used for the production of flexible…

Hydrogenated amorphous silicon (a-Si:H) has remarkable radiation resistance properties and can be deposited on a lot of different substrates. A-Si:H based particle detectors have been built since mid 1980s as planar p-i-n or Schottky diode…

We report here our study on SiC doped with transition metals using first principle density functional theory calculations. We have considered cubic SiC with 3d transition metals as substitutional impurities for Si and C site separately.…

Motivated by recent transport experiments and proposed atomic-scale semiconductor devices, we present measurements that extend the reach of scanned-probe methods to discern the properties of individual dopants tens of nanometers below the…

The energy spectrum of spin-orbit coupled states of individual sub-surface boron acceptor dopants in silicon have been investigated using scanning tunneling spectroscopy (STS) at cryogenic temperatures. The spatially resolved tunnel spectra…

Bismuth (209Bi) is the deepest Group V donor in silicon and possesses the most extreme characteristics such as a 9/2 nuclear spin and a 1.5 GHz hyperfine coupling. These lead to several potential advantages for a Si:Bi donor electron spin…

Intuitively, doping represents one of the most promising avenues for optimization of best prospect superconductors (SC) such as conventional high-pressure SCs with record critical temperatures. However, doping at high pressure (HP) is very…

Recent reports of strong room-temperature photoluminescence in hexagonal diamond (2H) germanium stand in marked contrast to theoretical predictions of very weak band-edge optical transitions. Here we address radiative emission in 2H-Ge and…

The divacancy comprising two neighboring vacant sites in the SiC lattice is a promising defect for applications in quantum technology. So far, most work is concerned with the divacancy in 4H-SiC, whereas the divacancies in 6H- and 3C-SiC…