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2016•Journal of Physics Condensed MatterRequires access

ZnO gap engineering by doping with III–V compounds

Antonis N. Andriotis, Madhu Menon

Open publisher page 6 citations

Abstract

Gap engineering of ZnO by codoping it with III-V materials is investigated using model and ab initio calculation. Our results show that the codoped materials (ZnO)1-x (III-V)x , where (III-V) stands for GaN, AlN, AlP, BN, BP exhibit energy band gaps that get smaller as the dopant concentrations x is increased. Even at a very small dopant concentration the obtained band gaps are found to be much smaller than that of ZnO making the studied (ZnO)1-x(III-V)x materials promising candidates for photoelectrochemical water splitting.

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What this paper is about

Gap engineering of ZnO by codoping it with III-V materials is investigated using model and ab initio calculation. Our results show that the codoped materials (ZnO)1-x (III-V)x , where (III-V) stands for GaN, AlN, AlP, BN, BP exhibit energy band gaps that get smaller as the dopant concentrations x is increased. Even at a very small dopant concentration the obtained band gaps are found to be much smaller than that of ZnO making the studied (ZnO)1-x(III-V)x materials promising candidates for photoelectrochemical water splitting.

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Available abstract

Gap engineering of ZnO by codoping it with III-V materials is investigated using model and ab initio calculation. Our results show that the codoped materials (ZnO)1-x (III-V)x , where (III-V) stands for GaN, AlN, AlP, BN, BP exhibit energy band gaps that get smaller as the dopant concentrations x is increased. Even at a very small dopant concentration the obtained band gaps are found to be much smaller than that of ZnO making the studied (ZnO)1-x(III-V)x materials promising candidates for photoelectrochemical water splitting.

Key concepts: Dopant, Band gap, Doping, Materials science, Ab initio, Wide-bandgap semiconductor, Ab initio quantum chemistry methods, Water splitting

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