Insight into electronic, magnetic and optical properties of magnetically ordered Bi2Fe4O9

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.