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Positron lifetime calculation has been performed for a vacancy and vacancy clusters in graphite and the comparison with experimental result was also made. Defect structure was obtained in a model grap...hite lattice after the relaxation of whole lattice using the molecular dynamics method, where the atomic potential presented by Andribet et al. was used. For the defect structure thus obtained positron lifetime was calculated under the atomic superposition method. Positron lifetimes 204 psec and 222 psec were obtained for the graphite matrix and a single vacancy, respectively, which can be compared with the experimental results 208psec and 233psec. For larger vacancy clusters, namely, vacancy loops lifetime calculation was also made and the increasing tendency with the number of vacancies in a cluster appeared. This is consistent with the experimental result in the higher annealing temperature region, where the increase of positron lifetime is seen, probably corresponding to the clustering of mobile vacancies.続きを見る
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Mendeley出力
