ZnO gap engineering by doping with III–V compounds. (6th January 2016)

• Record Type: Journal Article
• Authors: Andriotis, A N; Menon, M
• Is Part Of: Journal of physics. Volume 28:Number 3(2016)
• Publication Date: 2016-01-06
• Subjects: ab initio -- band structure -- molecular dynamics -- band gap engineering; Condensed matter -- Periodicals; Matière condensée -- Périodiques; Vaste stoffen; Vloeistoffen; Natuurkunde; Electronic journals; Computer network resources; 530.4105
• DOI: 10.1088/0953-8984/28/3/035803
• Languages: English
• ISSNs: 0953-8984

Abstract

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.