Related papers: Hydrogen and muonium in diamond: A path-integral m…
Using first principles calculations, this work investigates the suitability of diamond/c-BN heterojunctions for high frequency, high power device applications. The key quantities of band offsets and interface charge polarization are…
Although chemical vapor deposition (CVD) is one of the preferred routes to synthetic diamond crystals, a full knowledge of the point defects produced during growth is still incomplete. Here we exploit the charge and spin properties of…
Boron-doped diamond crystals (BDD, C$_{1-x}$B$_{x}$) exhibit exceptional mechanical strength, electronic tunability, and resistance to radiation damage. This makes them promising materials for use in gamma-ray crystal-based light sources.…
We present first-principles calculations of metallic atomic hydrogen in the 400-600 GPa pressure range in a tetragonal structure with space group $I4_1/amd$, which is predicted to be its first atomic phase. Our calculations show a band…
Measuring local temperature with a spatial resolution on the order of a few nanometers has a wide range of applications from semiconductor industry over material to life sciences. When combined with precision temperature measurement it…
Quantum sensing with spin defects in diamond, such as the nitrogen-vacancy (NV) center, enables the detection of various chemical species on the nanoscale. Molecules or ions with unpaired electronic spins are typically probed by their…
The equation of state of liquid metallic hydrogen is solved numerically. Investigations are carried out at temperatures, which correspond both to the experimental conditions under which metallic hydrogen is produced on earth and the…
The model of hydrogen migration and of the reactions of hydrogen atoms with electrically active impurity, developed earlier, has been applied to simulate hydrogen diffusion and passivation process during plasma deuteration of silicon…
In recent years, nitrogen-vacancy (NV) color centers in diamond have become excellent solid-state quantum sensors due to their electronic spin properties. Especially for their easy optical initialization and detection, together with their…
Fermionic path integral Monte Carlo simulations have been applied to study the equilibrium properties of the hydrogen and deuterium in the density and temperature range of 1.6 < rs < 14.0 and 5000K < T < 167000K. We use this technique to…
The nitrogen-vacancy centre (NV) has drawn much attention for over a decade, yet detailed knowledge of the photophysics needs to be established. Under typical conditions, the NV can have two stable charge states, negative (NV-) or neutral…
While the vibrational thermodynamics of materials with small anharmonicity at low temperatures has been understood well based on the harmonic phonons approximation; at high temperatures, this understanding must accommodate how phonons…
The nitrogen-vacancy (NV) centers in diamond sensing has been considered to be a promising micro-nano scale thermometer due to its high stability, good temperature resolution and integration. In this work, we fabricated the sensing core by…
We perform molecular dynamics simulations driven by accurate Quantum Monte Carlo forces on dense liquid hydrogen. Recently it has been reported a complete atomization transition between a mixed-atomic liquid and a completely dissociated…
Nanoscale confinement of molecules in a fluid can result in enhanced viscosity, local fluidic order, or collective motion. Confinement also affects ion transport and/or the rate and equilibrium concentration in a chemical reaction, all of…
Understanding the microscopic thermal effects of the hydrogel is important for its application in diverse fields, including thermal-related studies in tissue engineering and thermal management for flexible electronic devices. In recent…
We report a novel approach for crafting robust diamond/\b{eta}-Ga2O3 hetero-p-n-junctions through the mechanical integration of their bulk materials. This resulting heterojunction, with a turn-on voltage of ~2.7 V at room temperature,…
We created dense ensembles of negatively charged nitrogen-vacancy (NV-) centers in diamond by neutron and electron irradiation for applications in hybrid quantum systems and magnetometry. We characterize fluorescence intensity, optical and…
It is suggested that the substitutional nitrogen in diamonds bonded to three of the surrounding carbon atoms instead of four. This proposed electron configuration of the defect is deduced from previous experiments and theoretical…
We measure the defect density as a function of time at different temperatures in simulations of a two dimensional system of interacting particles. Just above the solid to liquid transition temperature, the power spectrum of the defect…