期刊
CURRENT APPLIED PHYSICS
卷 17, 期 5, 页码 713-716出版社
ELSEVIER
DOI: 10.1016/j.cap.2017.02.019
关键词
First-principles calculation; Gallium oxide; Doping
资金
- Basic Science Research Programs through the National Research Foundation of Korea [NRF-2015R1C1A1A02037595, NRF-2014R1A1A1035950]
- Inha University Research Grant [INHA-53352]
- National Research Foundation of Korea [2015R1C1A1A02037595, 2014R1A1A1035950] Funding Source: Korea Institute of Science & Technology Information (KISTI), National Science & Technology Information Service (NTIS)
We propose the novel strategy for indirect-to-direct band gap transition of gallium oxide-based semiconductors for ultraviolet lighting device through first-principles calculations using a screened hybrid functional. Our calculations show that the tuning of electronic band gap of alpha-Ga2O3 is straightforward by adding dopants, which mimics alloy-like system. In order to put the band gap in the energy range of ultraviolet light, Group-III (In, TI) at the Ga site and Group-V (N, P) or Group-VI (S, Se) at the 0 site are examined. We find that the most of doped Ga2O3 possess direct or nearly direct band gaps lying in the ultraviolet energy that is essential for optoelectronic devices. (C) 2017 Elsevier B.V. All rights reserved.
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