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非晶态Pd-Y-Si合金的电子结构

骆梅青 , 陈念贻 , 俞志中 , 宁远涛 , 周新铭

金属学报

用光电子能谱及量子化学计算研究了Pd-Y-Si非晶态合金的电子结构。结果表明:在该体系中,Y向Si迁移电子并形成极性共价键,Y-Si极性共价键可能阻碍结晶时原子重排。

关键词: 非晶态Pd-Y-Si , electronic structure , ESCA , EHMO

ELECTRONIC STRUCTURE OF Pd-Y-Si GLASSES

LUO Meiqing CHEN Nianyi Shanghai Institute of Metallurgy , Academia Sinica , Shanghai , ChinaYU Zhizhong Shanghai Institute of Testing Technics , Shanghai , ChianNING Yuantao ZHOU Xinming Kunming Institute of Precious Metals , Kunming , China CHEN Nianyi , Professor , Shanghai Institute of Metallurgy , Academia Sinica , Shanghai 200050 , China

金属学报(英文版)

The electronic structure of Pd-Y-Si glass has been investigated by ESCA and quantum chem- ical calculation.It was found that the valence electrons of Y transferred to Si atoms in this metallic glass,forming polar covalent bonds.Perhaps these strong covalent bonds link Si and Y atoms to form clusters that hinder the process of crystallization.

关键词: Pd-Y-Si glass , null , null , null

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