First Principles Study on the Geometric and Electronic Structures of the FeO/Pt(111) Surface

First Principles Study on the Geometric and Electronic Structures of the FeO/Pt(111) Surface
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FeO/Pt(111)表面几何结构和电子结构的第一性原理研究

DOI:
10.1021/jp810751j
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发表时间:
2009-04
影响因子:
3.7
通讯作者:
Zhang, Wenhua
Zhang, Wenhua
中科院分区:
化学3区
文献类型:
--
作者:
Li, Zhenyu;Luo, Yi;Yang, Jinlong;Zhang, Wenhua

文献摘要

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用第一性原理计算方法研究了Pt(111)表面上FeO单分子层的几何、电子和磁性。反铁磁(AFM)结构是目前研究较多的结构。
The geometric, electronic, and magnetic properties of the FeO monolayer on a Pt(111) surface are investigated by first principles calculations. Generally, antiferromagnetic (AFM) structures are mor ...