摘要：New solid solution of Na
0.5Bi
0.5TiO
3 with BaFeO
3−
δ
materials were fabricated by sol–gel method. Analysis of X-ray diffraction patterns indicated that BaFeO
3−
δ
materials existed as a well solid solution and resulted in distortion the structure of host Na
0.5Bi
0.5TiO
3 materials. The randomly incorporated Fe and Ba cations in the host Na
0.5Bi
0.5TiO
3 crystal decreased the optical band gap from 3.11 to 2.48 eV, and induced the room-temperature ferromagnetism. Our density-functional theory calculations further suggested that both Ba for Bi/Na-site and Fe dopant, regardless of the substitutional sites, in Na
0.5Bi
0.5TiO
3 lead to the induced magnetism, which is illustrated in terms of the exchange splitting between spin subbands through the crystal field theory and Jahn–Teller distortion effects. Our work proposes a simple method for fabricating lead-free ferroelectric materials with ferromagnetism property for multifunctional applications in smart electronic devices.
