Bi^0与石英光纤本征缺陷作用机制研究

Interaction Mechanisms of Bi^0 and Intrinsic Defects in Silica Optical Fiber

基于第一性原理,研究Bi0与石英光纤本征缺陷(ODC(I)和POL)的相互作用机制,计算了反应路径、形成能、电子结构和光学吸收谱等。通过分析反应路径,发现Bi0更易与缺陷POL发生相互作用,反应产物更加稳定,且反应后Bi在该中心表现为二价。当Bi0与本征缺陷ODC(I)产生反应时,Bi原子会与缺陷中的两个Si原子形成一种复杂的络合物结构,从而产生一个位于1400~1500nm近红外波段的吸收峰。本文的计算结果对深入分析石英光纤中Bi0与本征缺陷的作用机制,以及对掺铋光纤的制备过程具有重要的指导意义。

The first principle method was used to study the interaction mechanism between Bi 0 and intrinsic defects(ODC(I) and POL)in silica optical fiber, and the reaction path, formation energy, electronic structure and optical absorption spectrum were calculated. By analyzing the reaction paths, it was found that Bi 0 is more likely to interact with the defect POL, forming the more stable reaction product, and Bi is bivalent at the center after the reaction. For the reaction of Bi 0 with the intrinsic defect ODC(I), the Bi atom forms a complex with the two Si atoms in the defect and produces an absorption peak in the near-infrared band of 1400~1500 nm. Our calculation results have important theoretical significance for the in-depth analysis of the interaction mechanism between Bi 0 and intrinsic defects in silica optical fiber and the fabrication of bismuth-doped fiber.