Evaluation of some basic positron-related characteristics of SiC

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Journal Title
Journal ISSN
Volume Title
School of Science | A1 Alkuperäisartikkeli tieteellisessä aikakauslehdessä
Date
1996
Major/Subject
Mcode
Degree programme
Language
en
Pages
2512-2517
Series
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. © 1996 The American Physical Society.
Description
Keywords
positron annihilation, SiC
Other note
Citation
Brauer, G. & Anwand, W. & Nicht, E.-M. & Kuriplach, J. & Sob, M. & Wagner, N. & Coleman, P. G. & Puska, Martti J. & Korhonen, T. 1996. Evaluation of some basic positron-related characteristics of SiC. Physical Review B. Volume 54, Issue 4. 2512-2517. ISSN 1550-235X (electronic). DOI: 10.1103/physrevb.54.2512.