科研之友
微信
新浪微博
Facebook
分享链接
摘要
Density functional based simulations are employed to explore magnetoelectric effects in iron-based oxides, showing a unique layered structure. We theoretically predict CaFeO2 to be a promising magnetoelectric, showing magnetically-controlled large electric polarization, possibly even above room temperature. The cross coupling between magnetic and dipolar degrees of freedom needs, as main ingredients, Fe-site spin-orbit coupling and a spin-dependent O p-Fe d hybridization, along with structural constraints related to the non-centrosymmetric point group and the peculiar geometry characterized by "flattened" FeO4 tetrahedrons. In order to enhance magnetoelectric effects, we performed a materials-design leading to a novel and optimized system, MgFeO2, where the larger O-4 tetrahedral distortion leads to a stronger polarization.
- 出版日期2014-9
