Structural Studies on the Phase Transition of La3Ni2O6.92 at about 550, K

Hisashi Sasaki; Hiroshi Harashina; Satoshi Taniguchi; Mayumi Kasai; Yoshiaki Kobayashi; Masatoshi Sato; Takashi Kobayashi; Tomohiro Ikeda; Masaki Takata; Makoto Sakata

doi:10.1143/jpsj.66.1693

Structural Studies on the Phase Transition of La₃Ni₂O_6.92 at about 550, K

Hisashi Sasaki, Hiroshi Harashina, Satoshi Taniguchi, Mayumi Kasai, Yoshiaki Kobayashi, Masatoshi Sato, Takashi Kobayashi, Tomohiro Ikeda, Masaki Takata, Makoto Sakata

Author information

Hisashi Sasaki
Department of Physics, Division of Material Science, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01
Hiroshi Harashina
Department of Physics, Division of Material Science, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01
Satoshi Taniguchi
Department of Physics, Division of Material Science, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01
Mayumi Kasai
Department of Physics, Division of Material Science, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01
Yoshiaki Kobayashi
Department of Physics, Division of Material Science, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01
Masatoshi Sato
Department of Physics, Division of Material Science, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01
Takashi Kobayashi
Department of Applied Physics, Faculty of Engineering, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01
Tomohiro Ikeda
Department of Applied Physics, Faculty of Engineering, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01
Masaki Takata
Department of Applied Physics, Faculty of Engineering, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01
Makoto Sakata
Department of Applied Physics, Faculty of Engineering, Nagoya University, Furo–cho, Chikusa–ku, Nagoya 464–01

Keywords: La₃Ni₂O_6.92, Rietveld analysis, Mott transition

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1997 Volume 66 Issue 6 Pages 1693-1697

DOI https://doi.org/10.1143/jpsj.66.1693

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Abstract

Structural studies of La₃Ni₂O_6.92 with a double layered perovskite structure have been performed by the X-ray Rietveld analyses between 300, K and 650, K. The interatomic distance between Ni and the apical oxygen (on the outside of NiO₂ double layer) rapidly increases around the phase-transition temperature T_B -- 550, K with decreasing temperature. Then, the energy of the (3z²-r²) band is considered to shift downwards with respect to that of the (x²-y²) band with decreasing temperature and the lower Hubbard band of the former becomes to be (almost) fully occupied at the transition temperature, which induces the Mott transition (delocalized-localized transition) of the (3z²-r²) electrons.

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