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无机材料学报

无机材料学报

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离子晶体透红外截止波长的拓扑研究

薛军明, 刘茜   

  1. (中国科学院上海硅酸盐研究所, 上海 200050)
  • 收稿日期:2005-11-23 修回日期:2006-02-20 出版日期:2006-11-20 网络出版日期:2006-11-20

Topological Research on Long Wavelength Limit of Transparent Ionic Crystals in Infrared Range

XUE Jun-Ming, LIU Qian   

  1. (Shanghai Institute of Ceramics, Chinese Academy of Sciences, Shanghai 200050,China )
  • Received:2005-11-23 Revised:2006-02-20 Published:2006-11-20 Online:2006-11-20

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1614

被引次数

2

摘要： 基于邻接矩阵和离子结合力参数(bi)概念, 建立了新的连接性指数(mB); 用其0、1阶指数0B和1B与23种常见透红外离子晶体的晶格能(U)和透红外截止波长(λ)关联, 拟合所得的回归方程的相关系数分别为0.96904、0.98523、0.99185、0.97635, 满足优级或良级标准, 可作为设计透红外离子晶体截止波长的参考.

关键词: 透红外截止波长, 晶格能, 结合力参数, 连接性指数

Abstract: A novel connectivity topological index( mB) based on the adjacency matrix and the ionic parameter of binding force(bi) was derived in the present paper. The 0 and 1 order indexes0B and 1B of mB were derived to correlate the long wavelength limit(λ) and the lattice energy (U) of 23 different types of transparent ionic crystals in infrared range. The relative coefficients (R=0.96904,
0.98523, 0.99185, 0.97635) of the derived equations are all in the range of higher level standards. Therefore, the results of present research could be useful for the design and evaluation of the long wavelength limit of ionic crystals.

Key words: long wavelength limit, binding force parameter, lattice energy, connectivity index

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