Related papers: Density functional theory study of substitutional …
We report measurements of the optical properties of the 1042 nm transition of negatively-charged Nitrogen-Vacancy (NV) centers in type 1b diamond. The results indicate that the upper level of this transition couples to the m_s=+/-1…
In the conventional theory of density wave ordering in metals, the onset of spin density wave (SDW) order co-incides with the reconstruction of the Fermi surfaces into small 'pockets'. We present models which display this transition, while…
We investigated the effect of fluorine-terminated diamond surface on the charged state of shallow nitrogen vacancy defect centers (NVs). Fluorination is achieved with CF4 plasma and the surface chemistry is confirmed with x-ray…
Knowledge of the nitrogen-vacancy center formation kinetics in diamond is critical to engineering sensors and quantum information devices based on this defect. Here we utilize the longitudinal tracking of single NV centers to elucidate NV…
In strongly correlated electronic systems, several novel physical properties are induced by the orbital degree of freedom. In particular, orbital degeneracy near the Fermi level leads to spontaneous symmetry breaking, such as the nematic…
We derive an energy density functional for non-relativistic spin one-half fermions in the limit of a divergent two-body scattering length. Using an epsilon expansion around d=4-epsilon spatial dimensions we compute the coefficient of the…
We consider interacting Fermi systems close to the unitary regime and compute the corrections to the energy density that are due to a large scattering length and a small effective range. Our approach exploits the universality of the density…
By using molecular dynamics simulation, formation mechanisms of amorphous carbon in particular sp${}^3$ rich structure was researched. The problem that reactive empirical bond order potential cannot represent amorphous carbon properly was…
Recent developments in the physics of low density trapped gases make it worthwhile to verify old, well known results that, while plausible, were based on perturbation theory and assumptions about pseudopotentials. We use and extend recently…
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…
The nitrogen vacancy (NV) center in diamond exhibits spin-dependent fluorescence and long spin coherence times under ambient conditions, enabling applications in quantum information processing and sensing. NV centers near the surface can…
Isotopic substitution of boron and carbon is applied for the identification of the vibrational modes of heavily boron-doped diamond synthesized by high-pressure high-temperature technique. None of the bands in the Raman spectra are shifting…
In this paper we study, both with theoretical and experimental approach, the effect of iron doping in zirconia. Combining density functional theory (DFT) simulations with the experimental characterization of thin films, we show that iron is…
We present a density functional theory analysis of nitrogen-vacancy (NV) centers in diamond which are located in the vicinity of extended defects, namely intrinsic stacking faults (ISF), extrinsic stacking faults (ESF), and coherent twin…
Dense ensembles of nitrogen vacancy (NV) centers in diamond are of interest for various applications including magnetometry, masers, hyperpolarization and quantum memory. All of the applications above may benefit from a non-linear response…
Combining ab initio calculations and effective models derived from them, we discuss the electronic structure of oxygen doped gold chains when one Au atom is replaced by any transition-metal atom of the $3d$ series. The effect of O doping is…
The silicon-vacancy (SiV) and nitrogen-vacancy (NV) centers in diamond are commonly regarded as prototypical defects for solid-state quantum information processing. Here we show that when silicon and nitrogen are simultaneously introduced…
Three dimensional difference pair distribution functions from X-ray and neutron diffraction experiments are reported for yttria stabilized zirconia (Zr$_{0.82}$Y$_{0.18}$O$_{1.91}$). We use a quantitative analysis of the signatures in the…
Infra-red maps and profiles with high spatial resolution were obtained for two single crystal diamonds with pronounced CO2 IR absorption peaks. Detailed examination allows unambiguous assignment of the spectral features to solid CO2-I…
I study the structural and magnetic instabilities in LaNiO$_3$ using density functional theory calculations. From the non-spin-polarized structural relaxations, I find that several structures with different Glazer tilts lie close in energy.…