Local spin moments of transition-metal impurities in monovalent simple-metal hosts.
Local spin moments of transition-metal impurities in monovalent simple-metal hosts.
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一价简单金属主体中过渡金属杂质的局部自旋矩。
DOI：
10.1103/physrevb.46.10858
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发表时间：
1992
期刊：
影响因子：
--
通讯作者：
Dederichs
中科院分区：
文献类型：
--
作者：
Papanikolaou;Stefanou;Zeller;Dederichs
采用自洽局域自旋密度泛函方法，采用第一性原理的Korringa-Kohn-Rostoker-Green函数方法，采用Jeltron模型，研究了贵金属和碱金属基质中3d和4d替代杂质的局域磁性.从这两个计算的杂质矩的结果是在良好的协议，并比较以及与现有的实验数据。我们的计算给出了类自由电子基质中局域杂质自旋矩形成的一致性图象
The local magnetic properties of 3d and 4d substitutional impurities in noble and alkali-metal hosts are investigated by means of self-consistent local-spin-density-functional calculations using the jellium model as well as the first-principles Korringa-Kohn-Rostoker-Green's-function method. The results for the impurity moment from both calculations are in good agreement and compare well with the available experimental data. Our calculations give a consistent picture for the formation of local impurity spin moments in free-electron-like hosts