Atomic-scale structure and properties of highly stable antiphase boundary defects in Fe(3)O(4).
Atomic-scale structure and properties of highly stable antiphase boundary defects in Fe(3)O(4).
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Fe3O4 中高稳定反相边界缺陷的原子尺度结构和性质
DOI：
10.1038/ncomms6740
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发表时间：
2014-12-10
影响因子：
16.6
通讯作者：
Ikuhara, Yuichi
中科院分区：
文献类型：
--
作者：
McKenna, Keith P.;Hofer, Florian;Gilks, Daniel;Lazarov, Vlado K.;Chen, Chunlin;Wang, Zhongchang;Ikuhara, Yuichi
铁磁半金属磁铁矿（Fe 3 O 4）复杂而有趣的性质一直受到人们的关注，并且对于自旋电子学、磁性、催化和医学的实际应用也很重要。关于磁铁矿中普遍存在的反相界（APB）缺陷的作用有相当多的推测，然而，关于其结构和性质的直接信息仍然很难获得。在这里，我们结合联合收割机预测的第一性原理建模与高分辨率透射电子显微镜明确确定的三维结构的磁铁矿中的APBs。我们证明了在{110}平面上的APB缺陷是异常稳定的，并诱导相邻畴之间的反铁磁耦合，为经常观察到的磁阻和自旋极化降低提供了解释。我们还演示了如何连接到一个亚稳的体相的Fe 3 O 4，这可能是稳定的薄膜或纳米结构的应变的存在下，{110} APB缺陷的高稳定性。
The complex and intriguing properties of the ferrimagnetic half metal magnetite (Fe 3 O 4) are of continuing fundamental interest as well as being important for practical applications in spintronics, magnetism, catalysis and medicine. There is considerable speculation concerning the role of the ubiquitous antiphase boundary (APB) defects in magnetite, however, direct information on their structure and properties has remained challenging to obtain. Here we combine predictive first principles modelling with high-resolution transmission electron microscopy to unambiguously determine the three-dimensional structure of APBs in magnetite. We demonstrate that APB defects on the {110} planes are unusually stable and induce antiferromagnetic coupling between adjacent domains providing an explanation for the magnetoresistance and reduced spin polarization often observed. We also demonstrate how the high stability of the {110} APB defects is connected to the existence of a metastable bulk phase of Fe 3 O 4, which could be stabilized by strain in films or nanostructures.
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影响因子：
3.7
作者：
Kresse, G;Furthmuller, J
通讯作者：
Furthmuller, J
影响因子：
12.5
作者：
Bosak, Alexey;Chernyshov, Dmitry;Parlinski, Krzysztof
通讯作者：
Parlinski, Krzysztof
影响因子：
3.3
作者：
Chamritski, I;Burns, G
通讯作者：
Burns, G
影响因子：
3.7
作者：
Branicio, P. S.;Zhang, J. Y.;Srolovitz, D. J.
通讯作者：
Srolovitz, D. J.
影响因子：
4
作者：
KANAMORI, J
通讯作者：
KANAMORI, J