Evaluation of some basic positron-related characteristics of SiC

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A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä

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en

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6
2512-2517

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PHYSICAL REVIEW B, Volume 54, issue 4

Abstract

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.

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Brauer , G , Anwand , W , Nicht , E M , Kuriplach , J , Sob , M , Wagner , N , Coleman , P G , Puska , M J & Korhonen , T 1996 , ' Evaluation of some basic positron-related characteristics of SiC ' , Physical Review B , vol. 54 , no. 4 , pp. 2512-2517 . https://doi.org/10.1103/PhysRevB.54.2512