First-principles analysis of the optical properties of structural disorder in SiO2 glass

淡江大學機構典藏 > 理學院 > 物理學系暨研究所 > 期刊論文 > Item 987654321/27808

jsp.display-item.identifier=請使用永久網址來引用或連結此文件: https://tkuir.lib.tku.edu.tw/dspace/handle/987654321/27808

题名:	First-principles analysis of the optical properties of structural disorder in SiO2 glass
作者:	Tamura, Tomoyuki;Ishibashi, Shoji;Tanaka, Shingo;Kohyama, Masanori;Lee, Ming-Hsien
贡献者:	淡江大學物理學系
日期:	2008-02
上传时间:	2013-07-09 15:16:24 (UTC+8)
出版者:	College Park: American Physical Society
摘要:	We have carried out a band-resolved analysis of the optical absorption spectra of structural disorder in SiO2 glass by using a first-principles method, where dominant orbitals involved in the absorption spectra can be analyzed. We provided a strong theoretical support to a model where heavily strained bonds in three-membered ring structures affect the fundamental absorption edge. We found that the main absorption peak induced by an oxygen vacancy can be ascribed to a transition between the occupied and unoccupied defect states consisting of Si-Si and neighboring O orbitals due to the structural disorder. The present scheme is effective for analyzing the relationship between microscopic atomic structures and macroscopic optical properties.
關聯:	Physical Review B (Condensed Matter and Materials Physics) 77(8), 085207(8pages)
DOI:	10.1103/PhysRevB.77.085207
显示于类别:	[物理學系暨研究所] 期刊論文

文件中的档案:

档案	描述	大小	格式	浏览次数
1098-0121_77(8)p085207(8pages).pdf		694Kb	Adobe PDF	252	检视/开启
index.html		0Kb	HTML	210	检视/开启

在機構典藏中所有的数据项都受到原著作权保护.

TAIR相关文章