First-principles calculations in combination with group theory analyses were employed to
study the spin-polarized electronic structures of CBVN centers consisting of a nitrogen …

Small molecules possessing a triplet ground state are fundamentally intriguing but also in
high demand for applications such as quantum sensing and quantum computing. Such …

Impurity-vacancy complexes in diamond are an attractive family of spin defects since NV–, Si
V–, Ge V–, and Sn V–have emerged as promising platforms for quantum applications …

As the boron doping in diamond has been well established, and a negatively charged boron-
vacancy (BV) center has an active electron paramagnetic resonance, the BV center is an …

We investigated the optical properties and electronic structure of NV− 1 center in diamond
and 3C-SiC by combing photoluminescence spectroscopy (PL) and first-principles …

A detailed analysis of the dynamics of excitons bound to two nitrogen atoms forming an
isoelectronic center of C 2 v symmetry in GaAs is presented. The temperature dependence …

The previously developed ESSA for configuration interaction singles (CIS) method is
extended to a more rigorous many-body theory of excited states based on spin-flip (SF) …

A color center in diamond which is a comparable NV− 1 isoelectronic center is predicted
based on first-principles electronic structure calculations. The defect consists of a …

The moderate-size carbon nanoclusters with paramagnetic color centers are studied by
using a rather good-working simplified scheme of CNDOL type. Various electronic structure …

Radiation damage in 4 H-SiC samples implanted by 70 keV oxygen ion beams was studied
using photoluminescence and electron spin resonance techniques. ESR peak of g= 2.0053 …