贯穿类面心立方相的铜（001）表面上的铁磁铁：从电子结构的角度进行论证。
Ferromagnetic Fe on Cu(001) throughout the fcc-like phase: arguing from the viewpoint of the electronic structure.
作者信息
Donath M, Pickel M, Schmidt A B, Weinelt M
机构信息
Physikalisches Institut, Westfälische Wilhelms-Universität Münster, Wilhelm-Klemm-Straße 10, 48149 Münster, Germany.
出版信息
J Phys Condens Matter. 2009 Apr 1;21(13):134004. doi: 10.1088/0953-8984/21/13/134004. Epub 2009 Mar 12.
The scientific enthusiasm for ultrathin Fe films on Cu(001) has now lasted for more than 20 years. Is there ferromagnetic iron with a face-centred cubic (fcc) structure? Does ferromagnetism in Fe hinge on the body-centred cubic (bcc) structure? In this contribution, we try to establish that the electron system gives evidence of ferromagnetic behaviour with fcc-like electronic bands. We examine a crystal-induced surface state, which is characteristic of fcc surface order. Furthermore, we compare electronic signatures of fcc and bcc: the d-band exchange splitting, image-potential-state energies and the work function. We conclude that, from the viewpoint of the electronic structure, Fe on Cu(001) is found to be ferromagnetic throughout the fcc-like phase. This result raises a new question: how much deviation from the relaxed fcc order is acceptable without losing the electronic signature of fcc?
对铜（001）表面超薄铁薄膜的科学研究热情至今已持续了20多年。是否存在具有面心立方（fcc）结构的铁磁铁？铁的铁磁性是否取决于体心立方（bcc）结构？在本论文中，我们试图证明电子系统呈现出具有类fcc电子能带的铁磁行为。我们研究了一种晶体诱导表面态，它是fcc表面有序结构的特征。此外，我们比较了fcc和bcc的电子特征：d带交换分裂、镜像势态能量和功函数。我们得出结论，从电子结构的角度来看，在类fcc相中，铜（001）表面的铁被发现是铁磁性的。这一结果提出了一个新问题：在不失去fcc电子特征的情况下，与弛豫fcc有序结构的偏差可以接受多少？
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