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First-principles calculation of positron lifetimes and affinities in perfect and imperfect transition-metal carbides and nitrides

✍ Scribed by Puska, M. J.; Šob, M.; Brauer, G.; Korhonen, T.

Book ID: 121425890
Publisher: The American Physical Society
Year: 1994
Tongue: English
Weight: 601 KB
Volume: 49
Category: Article
ISSN: 1098-0121
DOI: 10.1103/PhysRevB.49.10947

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## Abstract Density Functional Theory (DFT) calculations at the GGA level have been carried out for Ti‐substituted chalcopyrite‐type CuGaS~2~, as it might constitute an intermediate band material of the kind that has been proposed to lead to enhanced efficiency photovoltaic cells. According to thes