非晶态合金Ni-P和Pd-Ni-P的电子结构

金属学报, 1985, 21(3): 106-114.

非晶态合金Ni-P和Pd-Ni-P的电子结构

中国科学院上海冶金研究所

上海市测试技术研究所

清华大学

THE ELECTRONIC STRUCTURE OF AMORPHOUS ALLOYS Ni-P AND Pd-Ni-P

FENG Pingyi , CHEN Nianyi Shanghai Institute of Metallurgy , Academia Sinica , YU Zhizhong Shanghai Institute of Testing Technics , LIAO Muzhen

用光电子能谱、Auger电子能谱实验和量子化学计算研究了Ni-P和Pd-Ni-P非晶态合金的电子结构。结果表明:磷的s,p电子和Ni,Pd的s,d电子成键,Fermi面处的态密度下降,能带结构明显变化。因此,用刚性能带-电荷迁移模型对Ni-P和Pd-Ni-P等非晶态合金的磁性及核磁性质所作的解释是不合乎实际情况的。

The study of electronic structure for amorphous alloys Ni-P and Pd-Ni-P wasmade by X-ray photoemission,Auger electron spectroscopy and quantum chemicalcalculation.It was shown that the s and p orbitals on the P atom combinedwith the s and d orbitals of Ni and Pd atoms to form bonding molecular orbit-als(MO).This leads a drop of the den sity ofstates near the Fermi level.Thechanges of band structure are obvious.The“rigid band-charge transfer model”which was used to explain the variation of magnetic and nuclear magnetic prop-erties of amorphous alloys such as Ni-P and Pd-Ni-P seems to be unreliable.

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