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題名 Luminescence and density functional theory (DFT) calculation of undoped nitridosilicate phosphors for light-emitting diodes
作者 Xiao, Zhi-Ren
蕭智仁
貢獻者 應用物理研究所
關鍵詞 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
上傳時間 28-Oct-2015 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
資料類型 article
DOI http://dx.doi.org/10.1039/c2jm16302k
dc.contributor 應用物理研究所
dc.creator (作者) Xiao, Zhi-Ren
dc.creator (作者) 蕭智仁zh_TW
dc.date (日期) 2012-03
dc.date.accessioned 28-Oct-2015 15:39:14 (UTC+8)-
dc.date.available 28-Oct-2015 15:39:14 (UTC+8)-
dc.date.issued (上傳時間) 28-Oct-2015 15:39:14 (UTC+8)-
dc.identifier.uri (URI) http://nccur.lib.nccu.edu.tw/handle/140.119/79086-
dc.description.abstract (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.
dc.format.extent 176 bytes-
dc.format.mimetype text/html-
dc.relation (關聯) Journal of Materials Chemistry,22(12), 5828-5834
dc.subject (關鍵詞) 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
dc.title (題名) Luminescence and density functional theory (DFT) calculation of undoped nitridosilicate phosphors for light-emitting diodes
dc.type (資料類型) articleen
dc.identifier.doi (DOI) 10.1039/c2jm16302k
dc.doi.uri (DOI) http://dx.doi.org/10.1039/c2jm16302k