Related papers: Ab initio supercell calculations on nitrogen-vacan…
We determine and analyze the charge and spin density distributions of nitrogen-vacancy (N-V) center in diamond for both the ground and excited states by \emph{ab initio} supercell calculations. We show that the hyperfine tensor of $^{15}$N…
The ground state spin of the negatively charged nitrogen-vacancy center in diamond has been the platform for the recent rapid expansion of new frontiers in quantum metrology and solid state quantum information processing. In ambient…
We carried out a first principles investigation on the microscopic properties of nickel-related defect centers in diamond. Several configurations, involving substitutional and interstitial nickel impurities, have been considered either in…
Nitrogen-vacancy center in diamond is a solid state defect qubit with favorable coherence time up to room temperature which could be harnessed in several quantum enhanced sensor and quantum communication applications, and has a potential in…
The negatively charged nitrogen-vacancy defect ($N-V^-$ center) in diamond is an important atomic-scale structure that can be used as a qubit in quantum computing and as a marker in biomedical applications. Its usefulness relies on the…
The negatively charged nitrogen-vacancy defect (NV)$^-$ in diamond has attracted much attention in recent years in qubit and biological applications. The negative charge is donated from nearby nitrogen donors that could limit or stem the…
The negatively charged nitrogen-vacancy centre is a unique defect in diamond that possesses properties highly suited to many applications, including quantum information processing, quantum metrology, and biolabelling. Although the unique…
Deep defects in wide band gap semiconductors have emerged as leading qubit candidates for realizing quantum sensing and information applications. Due to the spatial localization of the defect states, these deep defects can be considered as…
Understanding the profile of a qubit's wavefunction is key to its quantum applications. Unlike conducting systems, where a scanning tunneling microscope can be used to probe the electron distribution, there is no direct method for…
We investigate spin and optical properties of individual nitrogen-vacancy centers located within 1-10 nm from the diamond surface. We observe stable defects with a characteristic optically detected magnetic resonance spectrum down to lowest…
The nitrogen-vacancy (NV) center in diamond is a widely-utilized system due to its useful quantum properties. Almost all research focuses on the negative charge state (NV$^-$) and comparatively little is understood about the neutral charge…
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…
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 present a procedure that makes use of group theory to analyze and predict the main properties of the negatively charged nitrogen-vacancy (NV) center in diamond. We focus on the relatively low temperatures limit where both the spin-spin…
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,…
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 nitrogen vacancy (NV) center in diamond, a well-studied, optically active spin defect, is the prototypical system in many state of the art quantum sensing and communication applications. In addition to the enticing properties intrinsic…
The NV$^{-}$ color center in diamond has been demonstrated as a nanoscale sensor for quantum metrology. However, the properties that make it ideal for measuring, e.g., minute electric and magnetic fields also make it sensitive to…
The negatively charged nitrogen-vacancy center in diamond is a prototype photoluminescent point defect spin qubit with promising quantum technology applications, enabled by its efficient optical spin polarization and readout. Its low-lying…
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…