摘要
用径向分布函数(RDF)法研究了在P_2O_5-LiO_2二元系统玻璃中引入Ba^(2+)离子取代Li^+离子对玻璃结构的影响.RDF曲线可以提供关于Ba^(2+)离子分布的重要信息.同时,也可以判断含钡锂磷酸盐玻璃的主要结构为以[PO_4]四面体为单元的链状网络结构.RDF曲线上的1.54～1.56?的峰位,归属为[PO_4]四面体中P-O最近邻距离(统计平均值)的贡献;而4.00～4.15?和7.15～7.45?特征峰位,归属为Ba～Ba近邻距离的贡献.玻璃中Ba^(2+)离子的存在.使连结非桥氧的方向键有所加强,将影响磷酸盐链之间离子键的强度,从而导致玻璃的一些物理性质的变化.
The structural effects of substituting Ba^(2+) ions for Li^+ ions in Li_2O-P_2O_5 glasses have beeninvestigated by Radial Distribution Function (RDF) method. RDF curves of glasses containing barium and Lithium atoms can provide significant informations about the distribution of Ba^(2+) ions. The peaks at r = 1.54～1.56A in the observedcurves are due to the nearestneighbour's distance of P-O pairs in the [PO_4]tetrahedra, and the spectral peaks at r= 4.00～4.15 A and r=7.15～7.45 A are thought to arise primarily from Ba-Ba distance.The presence of Ba^(2+) ions of the glasses results in some increase in the directional bonding of the non-bridging oxygens, which would affect the strength of the ionic bonding between the phosphate chains. This effect could be resposible for the variation of physical properties.
出处
《玻璃》
1989年第4期7-11,共5页
Glass
