Abstract: The studies of interstitial atom effects on the crystallographic and magnetic properties of R(Fe, M)₁₂ compounds have been carried out by using neutron diffraction, magnetic measurements and band structure calculations. The original of interstitial atom effects has been investigated by systematic analyzing the calculated electronic structure and its relationship to the magnetic moments, hyperfine parameters and curie temperature.

Key words: rare-earth-iron intermetallics, interstitial atom effects, band structure calculation

摘要： 利用中子衍射，磁测量和Linear-muffin-tin-orbital (LMTO)能带结构计算研究了间隙氮原子对R(Fe, M)₁₂金属间化合物的结构和磁性的影响。系统地分析了间隙原子效应，并解释了间隙原子效应的起因和机理。

关键词: 稀土-铁金属间化合物, 间隙原子效应, 能带结构计算