Crystal Structure of Six-Layer Ba<SUB>1−<I>x</I></SUB>Sr<I><SUB>x</SUB></I>RuO<SUB>3</SUB>

  • Kobayashi Yoshihiko
    Department of Applied Physics and Chemistry, The University of Electro-Communications
  • Ohishi Tetsuji
    Department of Applied Physics and Chemistry, The University of Electro-Communications
  • Kaneko Tetsuya
    Department of Applied Physics and Chemistry, The University of Electro-Communications
  • Iwata Masatoshi
    Department of Applied Physics and Chemistry, The University of Electro-Communications
  • Asai Kichizo
    Department of Applied Physics and Chemistry, The University of Electro-Communications

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  • Crystal structure of six-layer Ba1-xSr[x]RuO3
  • Crystal Structure of Six-Layer Ba<sub>1-<i>x</i></sub>Sr<sub><i>x</i></sub>RuO<sub>3</sub>

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Abstract

We have synthesized the polycrystalline Ba1−xSrxRuO3 for 0≤x≤1.0, and investigated the crystal structure by X-ray powder diffraction. The crystalline structure of Ba1−xSrxRuO3 of six-layer phase at around 0.4≤x≤0.8 is clarified to be six-layer monoclinic with C2⁄c symmetry. The high-temperature X-ray diffraction experiment revealed the structural transition between the six-layer monoclinic and six-layer hexagonal structure with P63mmc around 580 K for x=0.5. For x=0.6 and 0.7, the monoclinic distortion decreases with increasing temperature though the transition was not observed below 623 K. The phase diagram of the crystalline structure against Sr content x of Ba1−xSrxRuO3 at the ambient temperature and pressure was established in the present experiment as the nine-layer hexagonal for x=0, the four-layer hexagonal for 0.1≤x≤0.3, the six-layer monoclinic for 0.5≤x≤0.7 and perovskite for x=1.0. The crystal is the mixture of the six-layer monoclinic and the four-layer hexagonal at around x=0.4, and the mixture of the six-layer monoclinic and the perovskite at around 0.8≤x≤0.9. At the phase boundaries, the volume per formula unit and the averaged interlayer distance show a discontinuous decrease with increasing Sr content. However, the changes within the phase are much smaller than those at the phase boundaries.

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