Solid-state spin systems including nitrogen-vacancy (NV) centers in diamond constitute an
increasingly favored quantum sensing platform. However, present NV ensemble devices …

The unique properties of diamond are responsible for its pre-eminence as a gemstone, and
give it a glamour and attraction unprecedented for any other mineral. As the first member of …

Optically active point defects in crystals have gained widespread attention as photonic
systems that could be applied in quantum information technologies,. However, challenges …

Negatively charged nitrogen-vacancy (NV−) centres formed in diamond crystals are point
defects that have potential applications in various quantum devices such as highly sensitive …

Formation and excitation energies as well charge transition levels are determined for the
substitutional nitrogen (N s), the vacancy (V), and related point defects (NV, NVH, N 2, N 2 V …

CRYSTAL is a periodic ab initio code that uses a Gaussian-type basis set to express
crystalline orbitals (ie, Bloch functions). The use of atom-centered basis functions allows …

Ab initio cluster methods are used to investigate vacancy-impurity complexes in diamond.
We assign the 1.682 eV, twelve-line optical band to a vacancy-Si complex which has a very …

In this paper we will consider some of the methods involved in carrying out density functional
calculations within the framework of localised basis sets, specifically those of Gaussian type …

We present results of first-principles calculations for the neutral and charged Si and C
monovacancies in cubic (3C) and hexagonal (4H) SiC. The calculations are based on the …

This handbook is a breakthrough in the understanding of the large number of spectral lines
in diamond. Data on more than 2000 lines and bands are presented in 200 tables, including …