Structural and Optical Properties of α-Quartz Cluster with Oxygen-Deficiency Centers

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 decr...

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Bibliographic Details
Main Authors: Yin Li, Xi Chen, Chuanghua Yang, Liyuan Wu, Ru Zhang
Format: Article
Language:English
Published: Wiley 2018-01-01
Series:Advances in Condensed Matter Physics
Online Access:http://dx.doi.org/10.1155/2018/2564803
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