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Effect of Crystal Symmetry on the Spin States of Fe3+ and Vibration Modes in Lead-free Double-Perovskite Cs2AgBi(Fe)Br6.
Puttisong, Y; Moro, F; Chen, S L; Höjer, P; Ning, W; Gao, F; Buyanova, I A; Chen, W M.
Afiliación
  • Puttisong Y; Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
  • Moro F; Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
  • Chen SL; Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
  • Höjer P; Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
  • Ning W; Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
  • Gao F; Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
  • Buyanova IA; Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
  • Chen WM; Department of Physics, Chemistry, and Biology (IFM), Linköping University, SE-58183 Linköping, Sweden.
J Phys Chem Lett ; 11(12): 4873-4878, 2020 Jun 18.
Article en En | MEDLINE | ID: mdl-32486640
We show by electron spin resonance (ESR) and Raman spectroscopies that the crystal phase transition of the lead-free double-perovskite Cs2AgBiBr6 has a profound symmetry-breaking effect on the high spin states of, for example, a transition-metal ion Fe3+ and the vibrational modes. It lifts their degeneracy when the crystal undergoes the cubic-tetragonal phase transition, splitting the six-fold degenerate S = 5/2 state of Fe3+ to three Kramer doublets and the enharmonic breathing mode Tg of the MBr6 octahedra (M = Ag, Bi, Fe) into Eg + Ag. The magnitudes of both spin and Raman line splitting are shown to directly correlate with the strength of the tetragonal strain field. This work, in turn, demonstrates the power of the ESR and Raman spectroscopies in probing structural phase transitions and in providing in-depth information on the interplay between the structural, spin, and vibrational properties of lead-free double perovskites, a newly emerging and promising class of materials for low-cost and high-efficiency photovoltaics and optoelectronics.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem Lett Año: 2020 Tipo del documento: Article País de afiliación: Suecia Pais de publicación: Estados Unidos
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: J Phys Chem Lett Año: 2020 Tipo del documento: Article País de afiliación: Suecia Pais de publicación: Estados Unidos