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

Sheng Ju; Tian-Yi Cai
February 2009
Applied Physics Letters;2/9/2009, Vol. 94 Issue 6, pN.PAG
Academic Journal
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 [variant_greek_epsilon]xx and [variant_greek_epsilon]zz, respectively. These results provide evidence of potential application of this unique structure.


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