Electron paramagnetic resonance and ab initio supercell calculations suggest that the P 6/P
7 centers, which were previously assigned to the photoexcited triplet states of the carbon …

Defects in silicon carbide (SiC) have emerged as a favorable platform for optically active
spin-based quantum technologies. Spin qubits exist in specific charge states of these …

The annealing kinetics of mobile intrinsic defects in cubic SiC is investigated by an ab initio
method based on density-functional theory. The interstitial-vacancy recombination, the …

We employ hybrid density functional calculations to search for defects in different polytypes
of SiC that may serve as qubits for quantum computing. We explore the divacancy in 4 H …

The development of defect populations after proton irradiation of n-type 4 H-SiC and
subsequent annealing experiments is studied by means of deep level transient (DLTS) and …

The diffusion of Ag impurities in bulk 3C–SiC is studied using ab initio methods based on
density functional theory. This work is motivated by the desire to reduce transport of …

Density-functional theory combined with periodic boundary conditions is used to
systematically study the dependence of defect formation energy on supercell size for …

In SiC, mobile point defects may form thermally stable clusters and aggregates, such as di‐
vacancies or carbon interstitial complexes. Although predicted by theory, experimental …

One of the major challenges of 4H-silicon carbide (4H-SiC) is that the preparation of low
resistivity p-type 4H-SiC single crystals lags seriously behind that of low resistivity n-type 4H …

Using the self-consistent-charge density-functional-based tight-binding (SCC-DFTB)
method, we have investigated the migration of vacancies at high temperatures, taking into …