Abstract Non-collinear antiferromagnetic (AFM) spin structure is imposed in Bi2Fe4O9 to study the electronic and magnetic properties of magnetically ordered Bi2Fe4O9 using first principles. Electronic properties carried out for both ferromagnetic (FM) and antiferromagnetic (AFM) orderings in Bi2Fe4O9 suggest that FM Bi2Fe4O9 is a semiconductor with an indirect optical bandgap of 1.732 eV, whereas, AFM Bi2Fe4O9 is a multiband semiconductor. The influence of different magnetic orderings on the electronic properties of Bi2Fe4O9 are studied in detail. The linear optical response of FM Bi2Fe4O9 is also investigated.

中文翻译：

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深入了解磁性有序 Bi2Fe4O9 的电子、磁性和光学特性

摘要 在 Bi2Fe4O9 中施加非共线反铁磁 (AFM) 自旋结构，以使用第一性原理研究磁性有序 Bi2Fe4O9 的电子和磁性。Bi2Fe4O9 中铁磁 (FM) 和反铁磁 (AFM) 排序的电子特性表明，FM Bi2Fe4O9 是一种间接光学带隙为 1.732 eV 的半导体，而 AFM Bi2Fe4O9 是一种多带半导体。详细研究了不同磁序对Bi2Fe4O9电子性质的影响。还研究了 FM Bi2Fe4O9 的线性光学响应。