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

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Physical Review B, Volume 54, issue 4, pp. 2512-2517

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