Giant optical anisotropy in an infinite-layer iron oxide SrFeO2: An ab initio investigation

Based on density functional theory, we study the electronic structure, magnetic structure, and linear optical response in SrFeO2. For its infinite-layer structure with iron square-planar coordination, the band structure, magnetic exchange interaction, and linear dielectric function show significant...

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Published in:Applied physics letters 2009-02, Vol.94 (6)
Main Authors: Ju, Sheng, Cai, Tian-Yi
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Language:English
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description Based on density functional theory, we study the electronic structure, magnetic structure, and linear optical response in SrFeO2. For its infinite-layer structure with iron square-planar coordination, the band structure, magnetic exchange interaction, and linear dielectric function show significant anisotropic behavior. In particular, giant optical anisotropy is found. The absorption edge differs by 0.5 eV between xx and zz components, and the low frequency dielectric constant is found to be 4.26 and 5.11 for εxx and εzz, respectively. These results provide evidence of potential application of this unique structure.
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title Giant optical anisotropy in an infinite-layer iron oxide SrFeO2: An ab initio investigation
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