Related papers: Native point defects and carbon clusters in 4H-SiC…
When annealing a 4H silicon carbide (SiC) crystal, a sequence of optically active defect centers occurs among which the TS center is a prominent example. Here, we present low-temperature photoluminescence analyses on the single defect…
Large-scale and gap error free calculations of the electronic structure of vacancies in 4H-SiC have been carried out using a hybrid density functional (HSE06) and an accurate charge correction scheme. Based on the results the carbon vacancy…
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…
We investigate the possibility that Hf defects exist in the Si channel of HfO2 Si-based metal-oxide-semiconductor devices. We have studied, using ab initio Density Functional Theory calculations, substitutional and interstitial Hf…
We have investigated the trends in the formation of carbon vacancies in binary transition metal (TM) carbides using density functional calculations for two common TM carbide crystal structures, namely the B1 (rock-salt) and WC structure…
Color centers in silicon carbide (SiC) have demonstrated significant promise for quantum information processing. However, the undesirable ionization process that occurs during optical manipulation frequently causes fluctuations in the…
The diamond nitrogen vacancy (NV) center remains an ever increasing topic of interest. At present, it is considered an ideal example of a solid-state qubit applicable in quantum communication, computing, and sensing alike. With its success,…
It has been shown that the first C layer on the SiC(0001)(2{\times}2)C surface already exhibits graphene-like electronic structure, with linear pi bands near the Dirac point. Indeed, the (2{\times}2)C reconstruction, with a Si adatom and C…
We have performed density functional calculations of the formation energies of substitutional transition metal (TM) defects, C vacancies, and C interstitial defects in TiC. In addition we have evaluated the migration energy barriers for C…
Future hadron collider experiments will require sensing materials that withstand stronger radiation fields. Therefore, either a frequent replacement of detectors, a significant increase in radiation hardness of Silicon, or a shift to…
Neutrally charged divacancies in silicon carbide (SiC) are paramagnetic color centers whose long coherence times and near-telecom operating wavelengths make them promising for scalable quantum communication technologies compatible with…
In this paper, we explore the effect of H and its bonding configurations on the defect state density and orbital localization of hydrogenated amorphous Si (a-Si:H)/crystalline Si (c-Si) heterostructures using density functional theory (DFT)…
Single-photon emitting point defects in semiconductors have emerged as strong candidates for future quantum technology devices. In the present work, we exploit crystalline particles to investigate relevant defect localizations, emission…
A first-principles study of the structural and electronic properies of carbon impurities in CuIn$_{1-x}$Ga$_x$Se$_{2}$ is presented. Carbon is present in organic molecules in the precursor solutions used in nonvacuum growth methods, making…
We report the realization of the optically induced inverse population of the ground-state spin sublevels of the silicon vacancies ($V_{\mathrm{Si}}$) in silicon carbide (SiC) at room temperature. The data show that the probed silicon…
The accurate determination of the preferred ${\rm Si}_{12}{\rm C}_{12}$ isomer is important to guide experimental efforts directed towards synthesizing SiC nano-wires and related polymer structures which are anticipated to be highly…
This study employed hybrid Monte Carlo Molecular Dynamics simulations to investigate the short-range ordering behavior of Ni-based superalloys doped with boron or carbon. The simulations revealed that both boron and carbon dissociated from…
We report on the low-energy electron and fast neutron irradiated 4H-SiC studied by deep-level transient spectroscopy (DLTS) and Laplace DLTS. Irradiations introduced two defects, Ec-0.4eV and Ec-0.7eV. They were previously assigned to…
The influence of oxygen and carbon impurities on the concentrations of defects in silicon for detector uses, in complex fields of radiation, characteristic to high energy physics experiments, is investigated in the frame of the quantitative…
Point defects in silicon carbide (SiC), particularly the negatively-charged silicon vacancy ($\mathrm{V_{Si}^{-}}$) in 4H-SiC, are leading candidates for scalable quantum technologies due to their favorable spin-optical properties and…