Related papers: Mechanical properties of cubic boron nitride and d…
We report the synthesis, magnetic susceptibility and crystal structure analysis for NbB2+x (x = 0.0 to 1.0) samples. The study facilitates in finding a correlation among the lattice parameters, chemical composition and the superconducting…
We report a comprehensive study on the optical properties of cubic boron nitride (c-BN) and its optically active defects. Using electron energy-loss spectroscopy (EELS) within a monochromated scanning transmission electron microscope (STEM)…
Boron carbide is a ceramic material with unique properties widely used in numerous, including armor, applications. Its mechanical properties, mechanism of compression, and limits of stability are of both scientific and practical value.…
Diamond is studied by path integral molecular dynamics simulations of the atomic nuclei in combination with a tight-binding Hamiltonian to describe its electronic structure and total energy. This approach allows us to quantify the influence…
Recent experiments demonstrated the cooling of a microwave mode of a high-quality dielectric resonator coupled to optically cooled nitrogen-vacancy (NV) spins in diamond. Our recent theoretical study [arXiv:2110.10950] pointed out the…
Nitrogen-vacancy (NV) center in diamond is an ideal candidate for quantum sensors because of its excellent optical and coherence property. However, previous studies are usually conducted at low or room temperature. The lack of full…
Diamond-based coatings are employed in several technological applications, for their outstanding mechanical properties, biocompatibility, and chemical stability. Of significant relevance is the interface with silicon oxide, where phenomena…
Shallow nitrogen-vacancy (NV) centers in diamond are promising for nano-magnetometry for they can be placed proximate to targets. To study the intrinsic magnetic properties, zero-field magnetometry is desirable. However, for shallow NV…
The Nitrogen-Vacancy (NV) center in diamond has attractive properties for a number of quantum technologies that rely on the spin angular momentum of the electron and the nuclei adjacent to the center. The nucleus with the strongest…
The sensitivity of Magnetic Resonance Imaging (MRI) depends strongly on nuclear spin polarisation and, motivated by this observation, dynamical nuclear spin polarisation has recently been applied to enhance MRI protocols (Kurhanewicz, J.,…
Two mechanisms of changes from 2D to 3D (D = dimensionality) involving 2D C(sp2) trigonal paving to C(sp3) tetrahedral stacking are proposed through puckering of the 2D layers on one hand and interlayer insertion of extra C on the other…
Density functional theory based study of the pressure dependent physical properties of binary SnS compound has been carried out. The computed elastic constants reveal that SnS is mechanically stable and brittle under ambient conditions.…
Chemical vapour deposition (CVD) grown nanocrystalline diamond is an attractive material for the fabrication of devices. For some device architectures, optimisation of its growth on silicon nitride is essential. Here, the effects of three…
A novel carbon allotrope, hexagonal C12, is proposed from crystal chemistry and quantum density functional theory DFT calculations of ground state and physical properties. The structure exhibits corner sharing distorted tetrahedra with the…
Quantum sensing utilizing nitrogen-vacancy (NV) centers in diamond has emerged as a transformative technology for probing magnetic phase transition1-4, evidencing Meissner effect of superconductors1,5-9, and visualizing stress…
We investigate transport properties of ultrananocrystalline diamond films for a broad range of temperatures. Addition of nitrogen during plasma-assisted growth increases the conductivity of ultrananocrystalline diamond films by several…
Diatomic nitrogen is an archetypal molecular system known for its exceptional stability and complex behavior at high pressures and temperatures, including rich solid polymorphism, formation of energetic states, and an insulator-to-metal…
Methods of optical dynamic nuclear polarization (DNP) open the door to the replenishable hyperpolarization of nuclear spins, boosting their NMR/MRI signature by orders of magnitude. Nanodiamond powder rich in negatively charged Nitrogen…
Boron-doped diamond undergoes an insulator-metal transition at some critical value (around 2.21 at %) of the dopand concentration. Here, we report a simple method for the calculation of its bulk modulus, based on the thermodynamical model,…
Nitriding introduces nitrides into the surface of steels, significantly enhancing the surface me-chanical properties. By combining the variable composition evolutionary algorithm and first-principles calculations based on density functional…