相关论文: Mathematical Modeling of Graphite-to-Diamond Trans…
he manifestation of intra-molecular strains in covalent systems is widely known to accelerate chemical reactions and open alternative reaction paths. This process is moderately understood for isolated molecules and uni-molecular processes.…
Optically induced ultrafast electronic excitations with sufficiently long lifetimes may cause strong effects on phase transitions like structural and nonmetal to metal ones. Examples are transitions diamond to graphite, graphite to…
Two-dimensional (2D) diamond has aroused tremendous interest in nanoelectronics and optoelectronics, owing to its superior properties and flexible characteristics compared to bulk diamond. Despite significant efforts, great challenges lie…
Materials in which heat and entropy can be transmitted by directed ballistic pulses can trigger new approaches to energy transduction in solids. We predict that a ballistic energy transfer mode, with heat propagation governed by a wave…
Materials adopting the diamond structure possess useful properties in atomic and colloidal systems, and are a popular target for synthesis in colloids where a photonic band gap is possible. The desirable photonic properties of the diamond…
We propose an analytical model to describe the mechanical deformation of single-crystal diamond following the local sub-superficial graphitization obtained by laser beams or MeV ion microbeam implantation. In this case, a local mass-density…
The present study is concerned with simulating the thermalization of high-energy charge carriers (electrons and/or electron-hole pairs), generated by ionizing radiation, in diamond and $\beta$-Ga$_2$O$_3$. Computational tools developed by…
Two dimensional electronic spectroscopy and transient grating measurements were performed, for the first time, on nitrogen-vacancy centers in diamond. These measurements reveal energy transfer and vibrational pathways with consequences for…
Nearly two-dimensional diamond, or diamane, is coveted as ultrathin $sp^3$-carbon film with unique mechanics and electro-optics. The very thinness ($~h$) makes it possible for the surface chemistry, e.g. adsorbed atoms, to shift the bulk…
We study the formation and decay of electron-hole droplets in diamonds at both low and high temperatures under different excitations by master equations. The calculation reveals that at low temperature the kinetics of the system behaves as…
The structural, dynamical, and thermodynamical properties of diamond, graphite and layered derivatives (graphene, rhombohedral graphite) are computed using a combination of density-functional theory (DFT) total-energy calculations and…
A detailed understanding of the material response to rapid compression is challenging and demanding. For instance, the element gold under dynamic compression exhibits complex phase transformations where there exist some large discrepancies…
In this paper we present the results of a systematic numerical analysis of the channeling properties of electrons and positrons in oriented straight and periodically bent diamond(110) crystals. We analyse dependence of the intensity of the…
Diamond quantum sensors offer high precision and spatial resolution as magnetic probes, making them promising for a wide range of applications. While diamond anvil cells (DACs) can generate extremely high pressures, techniques for…
Highly energetic ions traversing a two-dimensional material such as graphene produce strong electronic excitations. Electrons excited to energy states above the work function can give rise to secondary electron emission, reducing the amount…
Symmetry considerations are used in presenting a model of the electronic structure and the associated dynamics of the nitrogen-vacancy center in diamond. The model accounts for the occurrence of optically induced spin polarization, for the…
Point defects are responsible for a wide range of optoelectronic properties in materials, making it crucial to engineer their concentrations for novel materials design. However, considering the plethora of defects in co-doped semiconducting…
This work focuses on the production of negative-ions on graphite and diamond surfaces bombarded by positive ions in a low pressure (2 Pa) low power (20 W) capacitively coupled deuterium plasma. A sample is placed opposite a mass…
We report on a novel approach to dynamic compression of materials that bridges the gap between previous static- and dynamic- compression techniques, allowing to explore a wide range of pathways in the pressure-temperature space. By…
The pressure-induced structural transition in fcc C$_{60}$ fullerene by shock compression and rapid quenching is investigated by a semi-empirical tight-binding molecular dynamics simulation, adopting a constant-pressure scheme and a method…