Using simulations from first principles we investigate the microscopic role of doping on the optoelectronic properties of X-doped ZnO (XZO, X=Al, F), as transparent conductive oxide for energy applications. We show how the interplay between (co)dopants and defects affects TCO characteristics of the samples. Finally, we study the plasmonic activity of XZO in the near-IR/visible range and in particular at wavelength relevant for telecommunications (1.5 μm), confirming recent experimental results.
Arrigo Calzolari and Alessandra Catellani, "Doping, co-doping, and defect effects on the plasmonic activity of ZnO-based transparent conductive oxides," Proc. SPIE 10105, Oxide-based Materials and Devices VIII, 101050G (Presented at SPIE OPTO: January 30, 2017; Published: 24 February 2017); https://doi.org/10.1117/12.2250736.
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