Magnetic and electronic properties of bulk and clusters of FePt L10
Magnetic and electronic properties of bulk and clusters of FePt L10
复制标题
FePt L10 块体和团簇的磁和电子特性
DOI：
--
复制
发表时间：
2012
期刊：
影响因子：
--
通讯作者：
D. Spanjaard
中科院分区：
文献类型：
--
作者：
C. Barreteau;D. Spanjaard
将一个有效的包含磁性和自旋轨道相互作用的紧束缚模型推广到金属合金。紧束缚参数的确定从一个适合的散装从头计算每个金属和规则，以获得杂原子参数。导出了自旋和轨道磁矩以及磁晶各向异性。我们应用这种方法散装FePt L10和结果进行了比较，成功的从头计算结果可用。最后将该模型应用于一组FePt L10团簇，并导出了物理趋势。
An efficient tight-binding model including magnetism and spin–orbit interactions is extended to metallic alloys. The tight-binding parameters are determined from a fit to bulk ab initio calculations of each metal and rules are given to obtain the heteroatomic parameters. The spin and orbital magnetic moments as well as the magneto-crystalline anisotropy are derived. We apply this method to bulk FePt L10 and the results are compared with success to ab initio results where available. Finally this model is applied to a set of FePt L10 clusters and physical trends are derived.