Journal of Materials Science: Materials in Electronics

, Volume 29, Issue 21, pp 18593–18599 | Cite as

Low-spin Co3+ make great contributions to the magnetism of BiFeO3

  • Yingfang Fan
  • Yunhua Zhou
  • Menglan Shen
  • Xin Xu
  • Zhongchao Wang
  • Weiwei Mao
  • Jian Zhang
  • Jianping Yang
  • Yong PuEmail author
  • Xing’ao LiEmail author


Various spin states of Co3+ were tested in Co-doped BiFeO3 (BFO) through first-principle method, aimed to reveal the role of spin state transition of Co3+ in developing ferrimagnetism. It is found that low-spin (LS) Co3+ contributed much more to resultant magnetic moment than high-spin (HS) Co3+ (~ 3.914 µB). To explore the electronic origins of the enhanced magnetism, a more detailed analysis is carried out including electronic configuration of HS and LS Co3+ as well as Co–O hybridization. It is demonstrated that the LS Co3+ which is nonmagnetic could destroy the cycloid–dal spin structure of BFO. Moreover, LS Co3+ has vacant 3d orbitals so that the p–d covalency is enhanced and the local ferrimagnetism is improved. The structural origin of the Co3+ spin-state transition is ascribed to the distortion of CoO6 octahedra. To explore the influence of Co doping experimentally, the 8% Co-doped and un-doped BFO powders were prepared. The Hysteresis loops indicated that the substitution of Co led to a slight increase of magnetization, i.e. HS Co3+ made limited contribution to the magnetism of BFO.



We acknowledge the financial support from the National Natural Science Foundation of China [51372119, 51602161], Synergetic Innovation Center for Organic Electronics and Information Displays, the National Synergetic Innovation Center for Advanced Materials (SICAM), the Natural Science Foundation of Jiangsu Province, China [BM2012010], the Project Funded by the Priority Academic Program Development of Jiangsu Higher Education Institutions [YX03001], the Natural Science Foundation of Jiangsu Province [BK20150860] NUPTSF [Grant Nos. NY213103, NY214181, NY215077, NY215022].


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© Springer Science+Business Media, LLC, part of Springer Nature 2018

Authors and Affiliations

  1. 1.Key Laboratory for Organic Electronics and Information Displays & Institute of Advanced Materials (IAM), Jiangsu National Synergetic Innovation Center for Advanced Materials (SICAM)Nanjing University of Posts & Telecommunications (NUPT)NanjingPeople’s Republic of China
  2. 2.New Energy Technology Engineering Lab of Jiangsu Province, School of ScienceNanjing University of Posts & Telecommunications (NUPT)NanjingPeople’s Republic of China

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