Просмотр по теме "density functional method"

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  • Metal vacancies in Cd 1-x Zn x S quantum dots 
    Kupchak, I. M.; Korbutyak, D. V.; Serpak, N. F.; Shkrebtii, A. (2020)
    Structural and electronic characteristics of metal vacancies in nanocrystals Cd1–xZnxS have been studied within the density functional method. The electron state density and vacancy formation energy have been calculated, ...