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A first principle study on p-type doped 3C-SiC
Zhang Yun1; Shao Xiao-Hong1; Wang Zhi-Qiang2
Source PublicationACTA PHYSICA SINICA
Volume59Issue:8Pages:5652-5660
2010-08-01
Language英语
Indexed BySCI
WOS IDWOS:000281024100076
SubtypeArticle
AbstractThe 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.
KeywordSic Electronic Structure Doping Vasp
WOS KeywordTOTAL-ENERGY CALCULATIONS ; WAVE BASIS-SET ; CRYSTALS ; METALS ; LIQUID ; 3C
WOS Research AreaPhysics
WOS SubjectPhysics, Multidisciplinary
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ioe.ac.cn/handle/181551/3344
Collection光电技术研究所被WoS收录文章
Affiliation1.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
GB/T 7714
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.
APA Zhang Yun,Shao Xiao-Hong,&Wang Zhi-Qiang.(2010).A first principle study on p-type doped 3C-SiC.ACTA PHYSICA SINICA,59(8),5652-5660.
MLA Zhang Yun,et al."A first principle study on p-type doped 3C-SiC".ACTA PHYSICA SINICA 59.8(2010):5652-5660.
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