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Formation and excitation energies as well charge transition levels, are determined forthe substitutional nitrogen (Ns),the vacancy (V) and related point defects (NV, NVH, N2, N2V and V2) by screened non-local hybrid density functional…
The coherent behavior of the single electron and single nuclear spins of a defect center in diamond and a 13C nucleus in its vicinity, respectively, are investigated. The energy levels associated with the hyperfine coupling of the electron…
Using a recently developed quantum embedding theory, we present first principles calculations of strongly correlated states of spin defects in diamond. Within this theory, effective Hamiltonians are constructed, which can be solved by…
The unpolarized spin environment surrounding a central spin qubit is typically considered as an incoherent source of dephasing, however, precise characterization and control of the spin bath can yield a resource for storing and sensing with…
Spin degrees of freedom of charged nitrogen-vacancy (NV$^-$) centers in diamond have large decoherence times even at room temperature, can be initialized and read out using optical fields, and are therefore a promising candidate for solid…
Ultra-small, low-strain, artificially produced diamonds with an internal, active color center have substantial potential for quantum information processing and biomedical applications. Thus, it is of great importance to be able to…
The electronic and magnetic properties of a neutral substitutional nickel (Ni$_s^0$) impurity in diamond are studied using density functional theory in the generalized gradient approximation. The spin-one ground state consists of two…
We present a density functional theory analysis of the negatively charged nitrogen-vacancy (NV) defect complex located at or close to the core of 30$^\circ$ and 90$^\circ$ partial glide dislocations in diamond. Formation energies,…
Nitrogen-vacancy centres (NVs) in diamond are attractive for research straddling quantum information science and nanoscale magnetometry and thermometry. While ultrapure bulk diamond NVs sustain the longest spin coherence times among…
Atomic-scale impurity spins, also called color centers, in an otherwise spin-free diamond host lattice have proven to be versatile tools for applications in solid-state-based quantum technologies ranging from quantum information processing…
We review recent advances towards the realization of quantum networks based on atom-like solid-state quantum emitters coupled to nanophotonic devices. Specifically, we focus on experiments involving the negatively charged silicon-vacancy…
The interaction of solid-state electronic spins with deformations of their host crystal is an important ingredient in many experiments realizing quantum information processing schemes. Here, we theoretically characterize that interaction…
We present a density functional theory analysis of the negatively charged nitrogen-vacancy (NV$^-$) defect complex in diamond located in the vicinity of (111)- or (100)-oriented surfaces with mixed (N,H)-terminations. We assess the…
We model the decoherence and dephasing of nitrogen vacancy (NV) centers in diamond due to a noisy paramagnetic bath, with and without the presence of a rf field that couples levels of the ground electronic state manifold, using a simple…
The Nitrogen Vacancy Center in diamond coupled to addressable surrounding nuclear spins forms a versatile building block for future quantum technologies. While previous activities focused on sensing with only a single or very few spins in…
The nitrogen-vacancy (NV) center is a well utilized system for quantum technology, in particular quantum sensing and microscopy. Fully employing the NV center's capabilities for metrology requires a strong understanding of the behavior of…
Due to interest in both solid state based quantum computing architectures and the application of quantum mechanical systems to nanomagnetometry, there has been considerable recent attention focused on understanding the microscopic dynamics…
We characterize a high-density sample of negatively charged silicon-vacancy (SiV$^-$) centers in diamond using collinear optical multidimensional coherent spectroscopy. By comparing the results of complementary signal detection schemes, we…
We report depth-resolved photoluminescence measurements of nitrogen-vacancy (NV$^-$) centers formed along the tracks of swift heavy ions (SHIs) in type Ib synthetic single crystal diamonds that had been doped with 100 ppm nitrogen during…
The local structure and oxidation state of the cobalt impurity in SrTiO$_3$ is studied by X-ray absorption fine structure (XAFS) spectroscopy. The synthesis conditions, under which cobalt predominantly (up to 76%) substitutes the atoms at…