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Publication

Title:Defects in Cu2O, CuAlO2 and SrCu2O2 transparent conducting oxides
Authors:Nolan M., 2008
Abstract: Materials derived from copper oxide, Cu2O, are leading candidates for p-type transparent conducting oxides (TCO). We use first principles density functional theory (DFT) to investigate the defect chemistry of Cu2O, CuAlO2 and SrCu2O2. The origin of the p-type character of these materials is the facile formation of acceptor defects, in particular copper vacancies. Defect formation can be tuned so that under oxidising conditions formation of Cu vacancies is promoted. Formation of compensating defects is unfavourable. The defect chemistry of these TCO materials is remarkably similar and the present results demonstrate that acceptor defects will dominate the defect chemistry of Cu2O materials.
ICHEC Project:First principles materials design of transparent conducting oxides
Publication:Thin Solid Films (2008) 516: 8130-8135
URL: http://dx.doi.org/10.1016/j.tsf.2008.04.020
Keywords: Transparent conducting oxides; p-type; Defects; Copper oxide; Density functional theory
Status: Published

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