ZnO gap engineering by doping with III-V compounds

被引：5

作者：

Andriotis, A. N. ^{[1
]}

Menon, M. ^{[2
,3
]}

机构：

[1] FORTH, Inst Elect Struct & Laser, Iraklion 71110, Crete, Greece

[2] Univ Kentucky, Dept Phys & Astron, Lexington, KY 40506 USA

[3] Univ Kentucky, Ctr Computat Sci, Lexington, KY 40506 USA

来源：

JOURNAL OF PHYSICS-CONDENSED MATTER | 2016年 / 28卷 / 03期

关键词：

ab initio; band structure; molecular dynamics; band gap engineering; SOLID-SOLUTION PHOTOCATALYST; AUGMENTED-WAVE METHOD; ELECTRONIC-STRUCTURE; OPTICAL-PROPERTIES; GA1-XZNXN1-XOX; NANOSTRUCTURES; ABSORPTION; SPECTRA; ALLOYS; STATES;

D O I：

10.1088/0953-8984/28/3/035803

中图分类号：

O469 [凝聚态物理学];

学科分类号：

070205 ;

摘要：

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.

引用

页数：9

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