First-Principles calculations on donor doping on multiferroic properties of BiFeO3


氏名:Dan Ricinschi

所属:Innovator and Inventor Development Platform, Tokyo Institute of Technology

概要:We have elucidated the peculiarities of electronic structure and valence band alignment at heterointerfaces of strained epitaxial ASnO3 thin films. The valence band electronic structure is strain state dependent in a manner correlated with a directional change in Sn-O bond lengths with strain. The hybridized character of the Partial Density of States changes with volumetric strain in a manner consistent with the X-Ray Photoelectron Spectroscopy data. We have also clarified the impact of donor doping on local and global magnetic moment of BiFeO3 supercells as well as on its electronic and ferroelectric properties. It appears possible to enhance the magnetization of BiFeO3 without significantly affecting its ferroelectricity, with an added bonus of tuning its band gap so that it becomes suitable for photovoltaic applications.



  • J. D. Baniecki, T. Yamazaki, D. Ricinschi, Q. Van Overmeere, H. Aso, Y. Miyata, H. Yamada, N. Fujimura, R. Maran, T. Anazawa, N. Valanoor, and Y. Imanaka, Strain Dependent Electronic Structure and Band Offset Tuning at Heterointerfaces of ASnO3 (A = Ca, Sr, and Ba) and SrTiO3, Scientific Reports 7 41725 (2017)



  • Impact of Magnetic Configuration and Local Electric Dipoles on Electronic Properties of BiFeO3 with Spatial Bond Length Modulation, D. Ricinschi, CIMTEC 2016 (5th International Conference on Smart and Multifunctional Maaterials, Structures and Systems, Perugia, Italy, (June 2016)
  • First-Principles Study of Dopant and Defect-Induced Charge Transfer with Spin-State Crossover in Multiferroic BiFeO3, D. Ricinschi, IEEE ROMSC 2016, Iasi, Romania, (June 2016)


Posted : 2017年03月30日