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Chemical energy release and radical formation in cluster-induced sputtering of diatomic molecular targets: a molecular-dynamics model study.

Using molecular-dynamics simulation, we perform a systematic study of cluster-induced sputtering. Two model systems of diatomic molecular solids are employed, which have identical cohesive energy but differ in their dissociation energy and the possible reaction pathways. Sputtering occurs by the flow of gasified material out of the spike volume into the vacuum above it. Because of the entrainment of radicals and reaction products with the flow, only a minority of this debris is left behind in the target. The excitation of internal molecular degrees of freedom (rotation and vibration) slightly reduces the sputter yield in comparison to the sputtering of an atomic system, while the chemical energy release due to exothermic reactions of radicals formed enhances the yield in proportion to the chemical energy release.