Evaluation of some basic positron-related characteristics of SiC

G. Brauer, W. Anwand, E.M. Nicht, J. Kuriplach, M. Sob, N. Wagner, P.G. Coleman, M.J. Puska, T. Korhonen

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First-principles electronic structure and positron-state calculations for perfect and defected 3C- and 6H-SiC polytypes of SiC have been performed. Monovacancies and divacancies have been treated; the influence of lattice position and nitrogen impurities have been considered in the former case. Positron affinities and binding energies have been calculated; trends are discussed, and the results compared with recent atomic superposition method calculations. Experimental determination of the electron and positron work functions of the same 6H-SiC allows an assessment of the accuracy of the present first-principles calculations, and to suggest further improvements.
Original languageEnglish
Pages (from-to)2512-2517
Number of pages6
JournalPhysical Review B
Issue number4
Publication statusPublished - 15 Jul 1996
MoE publication typeA1 Journal article-refereed


  • positron annihilation
  • SiC

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