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|Title:||First-principles study of Sn and Ca doping in CuInO2|
|Citation:||Liu, L., Bai, K., Gong, H., Wu, P. (2005-09-15). First-principles study of Sn and Ca doping in CuInO2. Physical Review B - Condensed Matter and Materials Physics 72 (12) : -. ScholarBank@NUS Repository. https://doi.org/10.1103/PhysRevB.72.125204|
|Abstract:||The roles of Ca and Sn doping for p- and n-type CuInO2 were studied from first principles DFT calculations, which may lead to a better understanding of the dopant effects and further help to speed up the progress of new doping techniques. Currently Ca and Sn dopants are widely used in CuInO2 experiments, but the reported carrier concentrations were still too low to support practical device design. In this theoretical approach, we demonstrated that Ca is a deep acceptor and Sn is a deep donor which are unlikely to account for the enhanced electrical conductivity in experiments. We further propose that amorphous In2O3 may be partially responsible for the difference between the experiment and modeling. © 2005 The American Physical Society.|
|Source Title:||Physical Review B - Condensed Matter and Materials Physics|
|Appears in Collections:||Staff Publications|
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