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arXiv 0711.4744cond-mat.mtrl-sci
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关于碱金属薄膜的铁磁性问题

On the question of ferromagnetism in alkali metal thin films

Prasenjit Sen

摘要:

采用局域自旋密度近似(LSDA)和PW91广义梯度近似(GGA),在密度泛函理论(DFT)的平面波投影缀加波(PAW)方法中计算了K和Cs的$(100)$薄膜的电子和磁性结构.只有一个6层Cs膜被发现具有铁磁(FM)状态,这是简并与顺磁(PM)状态在这些计算的准确性。这与有限厚度均匀凝胶模型(UJM)的结果不同。这些结果的实验上的过渡金属掺杂的碱金属薄膜和散装主机的影响进行了讨论。

英文摘要:

Electronic and magnetic structure of $(100)$ films of K and Cs are calculated within the plane-wave projector augmented wave (PAW) formalism of the density functional theory (DFT) using both local spin density approximation (LSDA) and the PW91 generalized gradient approximation (GGA). Only a 6 layer Cs film is found to have a ferromagnetic (FM) state which is degenerate with a paramagnetic (PM) state within the accuracy of these calculations. This is at variance with the results obtained from a finite thickness uniform jellium model (UJM). Implications of these results for the experiments on transition metal doped alkali metal thin films and bulk hosts are discussed.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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