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

Abstract Non-collinear antiferromagnetic (AFM) spin structure is imposed in Bi 2 Fe 4 O 9 to study the electronic and magnetic properties of magnetically ordered Bi 2 Fe 4 O 9 using first principles. Electronic properties carried out for both ferromagnetic (FM) and antiferromagnetic (AFM) orderings in Bi 2 Fe 4 O 9 suggest that FM Bi 2 Fe 4 O 9 is a semiconductor with an indirect optical bandgap of 1.732 eV, whereas, AFM Bi 2 Fe 4 O 9 is a multiband semiconductor. The influence of different magnetic orderings on the electronic properties of Bi 2 Fe 4 O 9 are studied in detail. The linear optical response of FM Bi 2 Fe 4 O 9 is also investigated.