Structural and Optical Properties of α-Quartz Cluster with Oxygen-Deficiency Centers
Joint Authors
Li, Yin
Chen, Xi
Yang, Chuanghua
Wu, Liyuan
Zhang, Ru
Source
Advances in Condensed Matter Physics
Issue
Vol. 2018, Issue 2018 (31 Dec. 2018), pp.1-9, 9 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2018-04-01
Country of Publication
Egypt
No. of Pages
9
Main Subjects
Abstract EN
The structural and optical properties of α-quartz cluster with oxygen-deficiency centers (ODCs) defects have been investigated based on the density functional theory (DFT).
For cluster models with ODC(I) defect, with the increasing of cluster size and shape, the equilibrium length of Si-Si bond decreases.
The excitation peaks of cluster models with ODC(I) defect are from 6.87 eV to 7.39 eV, while the excitation peaks of cluster models with ODC(II) defect are from 5.20 eV to 5.47 eV.
We also study the interconversion between ODCs (≡Si-Si≡ bond and divalent Si) induced by UV irradiation.
Our study predicted the existence of a metastable structure of ODC(I) for the first time in literature.
Our results are in good agreement with the previous results and provide strong theoretical support to the viability of the processes.
American Psychological Association (APA)
Li, Yin& Chen, Xi& Yang, Chuanghua& Wu, Liyuan& Zhang, Ru. 2018. Structural and Optical Properties of α-Quartz Cluster with Oxygen-Deficiency Centers. Advances in Condensed Matter Physics،Vol. 2018, no. 2018, pp.1-9.
https://search.emarefa.net/detail/BIM-1117164
Modern Language Association (MLA)
Li, Yin…[et al.]. Structural and Optical Properties of α-Quartz Cluster with Oxygen-Deficiency Centers. Advances in Condensed Matter Physics No. 2018 (2018), pp.1-9.
https://search.emarefa.net/detail/BIM-1117164
American Medical Association (AMA)
Li, Yin& Chen, Xi& Yang, Chuanghua& Wu, Liyuan& Zhang, Ru. Structural and Optical Properties of α-Quartz Cluster with Oxygen-Deficiency Centers. Advances in Condensed Matter Physics. 2018. Vol. 2018, no. 2018, pp.1-9.
https://search.emarefa.net/detail/BIM-1117164
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1117164