Related papers: Fingerprinting defects in diamond: Partitioning th…
A phenomenological approach to the stretching mode vibrational frequencies of defects in semiconductors is proposed. A novel quantum scale is defined in terms of the first principles pseudopotential based orbital radius and the principal…
The detection of individual molecules and their dynamics has been a long-standing challenge in the field of nanotechnology. In this work, we present a method that utilizes a nitrogen vacancy (NV) center and a dangling-bond on the diamond…
Optically and magnetically active point defects in semiconductors are interesting platforms for the development of solid-state quantum technologies. Their optical properties are usually probed by measuring photoluminescence spectra, which…
We demonstrate quantum interference between indistinguishable photons emitted by two nitrogen-vacancy (NV) centers in distinct diamond samples separated by two meters. Macroscopic solid immersion lenses are used to enhance photon collection…
Graphene, being one-atom thick, is extremely sensitive to the presence of adsorbed atoms and molecules and, more generally, to defects such as vacancies, holes and/or substitutional dopants. This property, apart from being directly usable…
We present a coupled atomistic-continuum method for the modeling of defects and interface dynamics of crystalline materials. The method uses atomistic models such as molecular dynamics near defects and interfaces, and continuum models away…
Silicon carbide is a very promising platform for quantum applications because of extraordinary spin and optical properties of point defects in this technologically-friendly material. These properties are strongly influenced by crystal…
We present a simple and efficient method to incorporate anharmonic effects in the vibrational \textcolor{black}{analyses} of molecules within density functional theory (DFT) calculations. This approach is closely related to the traditional…
Modeling point defects at an atomic scale requires careful treatment of the long-range atomic relaxations. This elastic field can strongly affect point defect properties calculated in atomistic simulations because of the finite size of the…
We present ultra-fast quantum chemical methods for the calculation of infrared and ultraviolet-visible spectra designed to provide fingerprint information during autonomous and interactive explorations of molecular structures.…
The application of magnetic resonance (MR) spectroscopy at progressively smaller length scales may eventually permit "chemical imaging" of spins at the surfaces of materials and biological complexes. In particular, the negatively charged…
Optically addressable ensembles of solid-state defects, such as nitrogen vacancy (NV) centers, are a leading modality for imaging-based magnetometry, thermometry and strain sensing. However, monitoring the fluorescence of individual defects…
Optically active defect centers in diamond are of considerable interest, and ab initio calculations have provided valuable insight into the physics of these systems. Candidate structures for the Xe center in diamond, for which little…
Lifetime limited optical excitation lines of single nitrogen vacancy (NV) defect centers in diamond have been observed at liquid helium temperature. They display unprecedented spectral stability over many seconds and excitation cycles.…
The ST1 center is a point defect in diamond with bright fluorescence and a mechanism for optical spin initialization and readout. The center has impressive potential for applications in diamond quantum computing as a quantum bus to a…
The phonon spectra of solids, described through the measurable vibrational density of states (VDOS), provide a wealth of information about the underlying atomic structure and bonding, and they determine fundamental macroscopic properties…
We provide an elementary description of the dynamics of defect centers in crystals in terms of a quantum optical master equation which includes spontaneous decay and a simplified vibronic interaction with lattice phonons. We present the…
The defect in diamond formed by a vacancy surrounded by three nearest-neighbor nitrogen atoms and one carbon atom, $\mathrm{N}_{3}\mathrm{V}$, is found in $\approx98\%$ of natural diamonds. Despite $\mathrm{N}_{3}\mathrm{V}^{0}$ being the…
Thin layers of near-surface nitrogen-vacancy (NV) defects in diamond substrates are the workhorse of NV-based widefield magnetic microscopy, which has applications in physics, geology and biology. Several methods exist to create such NV…
The nitrogen-vacancy (NV) color center in diamond has demonstrated great promise in a wide range of quantum sensing. Recently, there have been a series of proposals and experiments using NV centers to detect spin noise of quantum materials…