Magnetic anisotropy of deposited transition metal clusters
Magnetic anisotropy of deposited transition metal clusters
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DOI：
10.1140/epjd/e2007-00190-9
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发表时间：
2007-12-01
影响因子：
1.8
通讯作者：
Ebert, H.
中科院分区：
文献类型：
--
作者：
Bornemann, S.;Minar, J.;Ebert, H.
我们用完全相对论自旋极化Korringa-Kohn-Rostoker方法计算了沉积在铂(111)表面上的Co和Fe团簇的磁矩。从磁力矩可以得到磁各向异性能量(MAE)等。结果表明，与直接计算磁力的磁力定理相比，这种方法在数值上更加稳定，对计算的要求也更低。虽然没有考虑结构松弛效应，但我们的结果与最近的实验数据吻合得很好。
We present results of magnetic torque calculations using the fully relativistic spin-polarized Korringa-Kohn-Rostoker approach applied to small Co and Fe clusters deposited on the Pt(111) surface. From the magnetic torque one can derive amongst others the magnetic anisotropy energy (MAE). It was found that this approach is numerically much more stable and also computationally less demanding than using the magnetic force theorem that allows to calculate the MAE directly. Although structural relaxation effects were not included our results correspond reasonably well to recent experimental data.