Electrical activity of carbon-hydrogen centers in Si

The electrical activity of Cs-H defects in Si has been investigated in a combined modeling and experimental study. High-resolution Laplace capacitance spectroscopy with the uniaxial stress technique has been used to measure the stress-energy tensor and the results are compared with theoretical modeling. At low temperatures, implanted H is trapped as a negative-U center with a donor level in the upper half of the gap. However, at higher temperatures, H migrates closer to the carbon impurity and the donor level falls, crossing the gap. At the same time, an acceptor level is introduced into the upper gap making the defect a positive-U center

Adatoms and nanoengineering of carbon

We present a new and general mechanism for inter-conversion of carbon structures via a catalytic exchange process, which operates under conditions of Frenkel pair generation. The mechanism typically lowers reaction barriers by a factor of four compared to equivilent uncatalysed reactions. We examine the relevance of this mechanism for fullerene growth, carbon onions and nanotubes, and dislocations in irradiated graphite.Comment: 3 Figures, 5 Page letter accepted for publication in Chemical Physics Letter

Interlayer vacancy defects in AA-stacked bilayer graphene: Density functional theory predictions

© 2017 IOP Publishing Ltd.AA-stacked graphite and closely related structures, where carbon atoms are located in registry in adjacent graphene layers, are a feature of graphitic systems including twisted and folded bilayer graphene, and turbostratic graphite. We present the results of ab initio density functional theory calculations performed to investigate the complexes that are formed from the binding of vacancy defects across neighbouring layers in AA-stacked bilayers. As with AB stacking, the carbon atoms surrounding lattice vacancies can form interlayer structures with sp 2 bonding that are lower in energy than in-plane reconstructions. The sp 2 interlayer bonding of adjacent multivacancy defects in registry creates a type of stable sp 2 bonded 'wormhole' or tunnel defect between the layers. We also identify a new class of 'mezzanine' structure characterised by sp 3 interlayer bonding, resembling a prismatic vacancy loop. The V 6 hexavacancy variant, where six sp 3 carbon atoms sit midway between two carbon layers and bond to both, is substantially more stable than any other vacancy aggregate in AA-stacked layers. Our focus is on vacancy generation and aggregation in the absence of extreme temperatures or intense beams

Defects in solids An ab initio study

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