PNNL

Abstract

Experimental and computational results on ion-beam-induced defect production, damage accumulation, and thermal recovery in SiC are reviewed. The accumulation and recovery of disorder on the Si and C sublattices have been determined experimentally by ion-channeling methods. Atomic-level simulations are used to determine defect production, cascade-overlap effects, and defect migration energies. Energetic Si and C collision cascades, with energies up to 50 keV, primarily produce single interstitials, mono-vacancies, antisite defects, and small defect clusters. Overlapping of Si and C cascades results in the interaction of defects and clusters that stimulates cluster growth and produces long-range structural disorder. For energetic Au cascades, nanoscale amorphous clusters are produced directly within about 25% of the Au cascades, along with point defects and smaller clusters. The disordering behavior and the changes in volume and elastic modulus obtained experimentally and from molecular dynamics simulations are in good agreement, thus providing atomic-level interpretation of experimentally observed features. Simulations of close-pair production and recombination in SiC indicate that the activation energies for recombination of most close pairs range from 0.24 to 0.38 eV. Multi-axial channeling measurements indicate annealing below 300 K results in relaxation of some interstitials to lower-energy configurations. Long-range migration energies for interstitial and vacancies have likewise been determined by computational methods.