Experimental and theoretical studies on induced ferromagnetism of new (1 − x)Na0.5Bi0.5TiO3 + xBaFeO3−δ solid solution

• Published in: Scientific reports Vol. 11; no. 1; p. 8908
• Main Authors: Dung, Dang Duc, Lam, Nguyen Huu, Nguyen, Anh Duc, Trung, Nguyen Ngoc, Van Duc, Nguyen, Hung, Nguyen The, Kim, Yong Soo, Odkhuu, Dorj
• Format: Journal Article
• Language: English
• Published: London Nature Publishing Group UK 26.04.2021; Nature Publishing Group; Nature Portfolio
• Subjects: 639/301; 639/301/119; 639/301/119/997; Cations; Electronic equipment; Humanities and Social Sciences; Magnetism; multidisciplinary; Science; Science (multidisciplinary); Solid solutions; X-ray diffraction
• ISSN: 2045-2322; 2045-2322
• DOI: 10.1038/s41598-021-88377-3

New solid solution of Na 0.5 Bi 0.5 TiO 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 0.5 Bi 0.5 TiO 3 materials. The randomly incorporated Fe and Ba cations in the host Na 0.5 Bi 0.5 TiO 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 0.5 Bi 0.5 TiO 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.