政大機構典藏-National Chengchi University Institutional Repository(NCCUR):Item 140.119/79086

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政大機構典藏 > 理學院 > 應用物理研究所 > 期刊論文 > Item 140.119/79086

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题名:	Luminescence and density functional theory (DFT) calculation of undoped nitridosilicate phosphors for light-emitting diodes
作者:	Xiao, Zhi-Ren 蕭智仁
贡献者:	應用物理研究所
关键词:	Blue emission;Blue excitation;Density functional theory calculations;Emission bands;Extended systems;First-principles;Gas-pressure sintering;Nitridosilicates;Orbitals;Red emissions;Si-Si bonds;UV excitation;Chemical bonds;Electronic structure;Energy gap;Light emission;Silicon;Sintering;Solids;Light emitting diodes
日期:	2012-03
上传时间:	2015-10-28 15:39:14 (UTC+8)
摘要:	Undoped nitridosilicates that contain a Si-Si bond, SrSi 6N 8 and SrSi 6N 7.95O 0.05, were successfully synthesized by gas-pressure sintering (GPS). Both newly discovered nitridosilicates SrSi 6N 8 and SrSi 6N 7.95O 0.05 were found to exhibit a blue emission (452 nm) under UV excitation (370 nm). Additionally, SrSi 6N 7.95O 0.05 emits a red emission (652 nm) under blue excitation (460 nm). Based on density functional theory (DFT) calculations from first principles, the electronic structure of a N-vacancy caused a Si extended system in SrSi 6N 8 and SrSi 6N 7.95O 0.05. This phenomenon is predicted using the calculated 2.75 eV (452 nm) energy gap between the 3p-orbitals and the 4s-orbitals of Si, which is consistent with the main peak associated with the emission band and the O-replacement defect system (SrSi 6N 7.95O 0.05) from a separation of 1.98 eV (652 nm) for the energy gap between the 3s-orbitals and the 2p-orbitals of O. © The Royal Society of Chemistry 2012.
關聯:	Journal of Materials Chemistry,22(12), 5828-5834
数据类型:	article
DOI 連結:	http://dx.doi.org/10.1039/c2jm16302k
DOI:	10.1039/c2jm16302k
显示于类别:	[應用物理研究所 ] 期刊論文

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