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Title: Dopant sources choice for formation of p-type ZnO: Phosphorus compound sources
Authors: Yu, Z.G.
Gong, H. 
Wu, P.
Issue Date: 22-Feb-2005
Citation: Yu, Z.G., Gong, H., Wu, P. (2005-02-22). Dopant sources choice for formation of p-type ZnO: Phosphorus compound sources. Chemistry of Materials 17 (4) : 852-855. ScholarBank@NUS Repository.
Abstract: Fabrication of p-type ZnO has proven difficult and usually inconsistent despite numerous worldwide efforts. In this theoretical study we explored the problem of p-type ZnO formation using both DFT and thermochemistry calculations. Our DFT models predicted that Zn3P2 is a good dopant because it can lead to a shallow acceptor level at 0 K. Additional thermochemistry calculations demonstrated that this shallow acceptor can be further stabilized in a real fabrication process. Our models explain well the observed trends for both n- and p-type phosphorus-doped ZnO and especially the observed inconsistent behaviors of P2O5 dopant. A new strategy of fabricating p-type ZnO was proposed thereafter. This research may also help to address the problem of dopant selection in the fabrication of other wide-gap semiconductors.
Source Title: Chemistry of Materials
ISSN: 08974756
DOI: 10.1021/cm0482176
Appears in Collections:Staff Publications

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