Interplay between Electronic Structure and Correlation through the s-d Mixing in Transition Metal Systems
Interplay between Electronic Structure and Correlation through the s-d Mixing in Transition Metal Systems
复制标题
过渡金属系统中电子结构和相关性通过 s-d 混合的相互作用
DOI：
10.1143/ptps.101.1
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发表时间：
1990
影响因子：
--
通讯作者：
J. Kanamori
中科院分区：
文献类型：
--
作者：
J. Kanamori
sd 混合是指过渡元素原子的 d 态与相邻原子的 s、p、/、对称性态之间的混合，即使在过渡金属体系中也是最重要的。一种通过与 s、P 价原子（例如 B、C 和 N）进行 sd 混合来增强铁原子系统铁磁性的机制，该机制似乎在 Nd 中起作用。铁，。 B 和其他系统作为静态扰动效应的说明性示例进行讨论。通过扩展对杂质的讨论，讨论了 sd 混合在产生能带结构计算与镍中单电子激发实验数据的差异方面的可能作用。
The sd mixing which refers to the mixing between d states of a transition element atom and states of s, p,/,---symmetries of neighboring atoms can be of primary importance even in transition metal systems. A mechanism for enhancing the ferromagnetism of iron atom systems through the sd mixing with s, P valence atoms such as B, C and N which seems to be operating in Nd. Fe,. B and other systems is discussed as an illustrative example of the static perturbation effect. A possible role of the sd mixing in producing the discrepancies of the band structure calculation from the experimental data on single electron excitations in nickel is discussed by extending the discussion on impurities.