First-principles exchange interactions in Fe, Ni, and Co
First-principles exchange interactions in Fe, Ni, and Co
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DOI：
10.1063/1.370495
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发表时间：
1999-04
影响因子：
3.2
通讯作者：
M. Schilfgaarde;V. Antropov
中科院分区：
文献类型：
--
作者：
M. Schilfgaarde;V. Antropov
采用多重散射方法和局域密度近似及刚性自旋近似，计算了Fe、Ni和Co的交换相互作用，得到了自旋波谱。的相互作用，有助于自旋波谱被发现是相当长的范围。交换参数计算作为带填充的函数，并预测过渡到反铁磁行为的bcc Fe和fcc Co的缺电子合金。
Using a multiple-scattering approach and the local-density and rigid-spin approximations, the exchange interactions are calculated for Fe, Ni, and Co, and the spin-wave spectrum obtained. The interactions contributing to the spin-wave spectrum are found to be rather long-ranged. The exchange parameters are calculated as a function of band filling, and predict transition to antiferromagnetic behavior for electron-deficient alloys of bcc Fe and fcc Co.