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题名:
A first principle study on p-type doped 3C-SiC
作者: Zhang Yun1; Shao Xiao-Hong1; Wang Zhi-Qiang2
刊名: ACTA PHYSICA SINICA
出版日期: 2010-08-01
卷号: 59, 期号:8, 页码:5652-5660
关键词: SiC ; electronic structure ; doping ; VASP
文章类型: Article
英文摘要: The geometrical and electronic structures, the dopant formation energies, lattice constants, band structure and density of states of p-type SiC are calculated by the first principles of plane wave ultra-soft pseudo-potential method based on density functional theory. The band structures of different concentrations of B, Al and Ga are calculated. The results of the electronic structure show that the band gap narrows with the increase of doping concentration of B and the band gap widens with the increase of doping concentration of Al and Ga. At the same concentration the band gap of Ga doped SiC is wider than that of Al doped SiC, the band gap of Al doped SiC is wider than B doped SiC.
WOS标题词: Science & Technology ; Physical Sciences
类目[WOS]: Physics, Multidisciplinary
研究领域[WOS]: Physics
关键词[WOS]: TOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; CRYSTALS ; METALS ; LIQUID ; 3C
收录类别: SCI
语种: 英语
WOS记录号: WOS:000281024100076
Citation statistics:
内容类型: 期刊论文
URI标识: http://ir.ioe.ac.cn/handle/181551/3344
Appears in Collections:光电技术研究所被WoS收录文章_期刊论文

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作者单位: 1.Beijing Univ Chem Technol, Coll Sci, Beijing 100029, Peoples R China
2.Chinese Acad Sci, Inst Opt & Elect, Beijing 100190, Peoples R China

Recommended Citation:
Zhang Yun,Shao Xiao-Hong,Wang Zhi-Qiang. A first principle study on p-type doped 3C-SiC[J]. ACTA PHYSICA SINICA,2010,59(8):5652-5660.
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