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- W3100855162 abstract "Abstract The electronic transport through Au–(Cu 2 O) n –Au junctions is investigated using first-principles calculations and the nonequilibrium Green’s function method. The effect of varying the thickness (i.e., n ) is studied as well as that of point defects and anion substitution. For all Cu 2 O thicknesses the conductance is more enhanced by bulk-like (in contrast to near-interface) defects, with the exception of O vacancies and Cl substitutional defects. A similar transmission behavior results from Cu deficiency and N substitution, as well as from Cl substitution and N interstitials for thick Cu 2 O junctions. In agreement with recent experimental observations, it is found that N and Cl doping enhances the conductance. A Frenkel defect, i.e., a superposition of an O interstitial and O substitutional defect, leads to a remarkably high conductance. From the analysis of the defect formation energies, Cu vacancies are found to be particularly stable, in agreement with earlier experimental and theoretical work." @default.
- W3100855162 created "2020-11-23" @default.
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- W3100855162 date "2016-06-03" @default.
- W3100855162 modified "2023-09-24" @default.
- W3100855162 title "Defect engineering of the electronic transport through cuprous oxide interlayers" @default.
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- W3100855162 doi "https://doi.org/10.1038/srep27049" @default.
- W3100855162 hasPubMedCentralId "https://www.ncbi.nlm.nih.gov/pmc/articles/4891735" @default.
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