Effect of Vacancy Defects on the Electronic Structure and Optical Properties of GaN
The effect of gallium vacancy (VGa) and nitrogen vacancy (VN) defects on the electronic structure and optical properties of GaN using the generalized gradient approximation method within the density functional theory were investigated. The results show that the band gap increases in GaN with vacancy...
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| Format: | Article |
| Language: | English |
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Wiley
2017-01-01
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| Series: | Journal of Nanotechnology |
| Online Access: | http://dx.doi.org/10.1155/2017/6987430 |
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| _version_ | 1832563607324327936 |
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| author | Lili Cai Cuiju Feng |
| author_facet | Lili Cai Cuiju Feng |
| author_sort | Lili Cai |
| collection | DOAJ |
| description | The effect of gallium vacancy (VGa) and nitrogen vacancy (VN) defects on the electronic structure and optical properties of GaN using the generalized gradient approximation method within the density functional theory were investigated. The results show that the band gap increases in GaN with vacancy defects. Crystal parameters decrease in GaN with nitrogen vacancy (GaN:VN) and increase in GaN with gallium vacancy (GaN:VGa). The Ga vacancy introduces defect levels at the top of the valence band, and the defect levels are contributed by N2p electron states. In addition, the energy band shifts to lower energy in GaN:VN and moves to higher energy in GaN:VGa. The level splitting is observed in the N2p states of GaN:VN and Ga3d states of GaN:VGa. New peaks appear in lower energy region of imaginary dielectric function in GaN:VN and GaN:VGa. The main peak moves to higher energy slightly and the intensity decreases. |
| format | Article |
| id | doaj-art-fa16c98203de41e68e5f7f35c801495a |
| institution | Kabale University |
| issn | 1687-9503 1687-9511 |
| language | English |
| publishDate | 2017-01-01 |
| publisher | Wiley |
| record_format | Article |
| series | Journal of Nanotechnology |
| spelling | doaj-art-fa16c98203de41e68e5f7f35c801495a2025-02-03T01:13:14ZengWileyJournal of Nanotechnology1687-95031687-95112017-01-01201710.1155/2017/69874306987430Effect of Vacancy Defects on the Electronic Structure and Optical Properties of GaNLili Cai0Cuiju Feng1Foundation Department, North China Institute of Science and Technology, Beijing 101601, ChinaFoundation Department, North China Institute of Science and Technology, Beijing 101601, ChinaThe effect of gallium vacancy (VGa) and nitrogen vacancy (VN) defects on the electronic structure and optical properties of GaN using the generalized gradient approximation method within the density functional theory were investigated. The results show that the band gap increases in GaN with vacancy defects. Crystal parameters decrease in GaN with nitrogen vacancy (GaN:VN) and increase in GaN with gallium vacancy (GaN:VGa). The Ga vacancy introduces defect levels at the top of the valence band, and the defect levels are contributed by N2p electron states. In addition, the energy band shifts to lower energy in GaN:VN and moves to higher energy in GaN:VGa. The level splitting is observed in the N2p states of GaN:VN and Ga3d states of GaN:VGa. New peaks appear in lower energy region of imaginary dielectric function in GaN:VN and GaN:VGa. The main peak moves to higher energy slightly and the intensity decreases.http://dx.doi.org/10.1155/2017/6987430 |
| spellingShingle | Lili Cai Cuiju Feng Effect of Vacancy Defects on the Electronic Structure and Optical Properties of GaN Journal of Nanotechnology |
| title | Effect of Vacancy Defects on the Electronic Structure and Optical Properties of GaN |
| title_full | Effect of Vacancy Defects on the Electronic Structure and Optical Properties of GaN |
| title_fullStr | Effect of Vacancy Defects on the Electronic Structure and Optical Properties of GaN |
| title_full_unstemmed | Effect of Vacancy Defects on the Electronic Structure and Optical Properties of GaN |
| title_short | Effect of Vacancy Defects on the Electronic Structure and Optical Properties of GaN |
| title_sort | effect of vacancy defects on the electronic structure and optical properties of gan |
| url | http://dx.doi.org/10.1155/2017/6987430 |
| work_keys_str_mv | AT lilicai effectofvacancydefectsontheelectronicstructureandopticalpropertiesofgan AT cuijufeng effectofvacancydefectsontheelectronicstructureandopticalpropertiesofgan |