Ionic States of Copper Atoms in YBa<SUB>2</SUB>Cu<SUB>3−<I>x</I></SUB>O<SUB>7−<I>y</I></SUB>

• Sasaki Satoshi

  Photon Factory, National Laboratory for High-Energy Physics

• Inoue Zenzaburo

  National Institute for Research in Inorganic Materials

• Iyi Nobuo

  National Institute for Research in Inorganic Materials

• Takekawa Shunji

  National Institute for Research in Inorganic Materials

抄録

The number of electrons around Cu atoms of tetragonal YBa₂Cu_2.933O_6.38 gas been calculated from the charge integrations by direct Fourier summations of X-ray diffraction data. The atomic charges estimated from the total number of electrons belonging to the Cu1 and Cu2 atoms are +0.98(8) e and +1.78(7) e, suggesting univalent (3d¹⁰) and divalent (3d⁹) ionic states, respectively. The respective ionic states accord with the observations of the spherical electron distribution (Cu1) and of localized electron (Cu2).

収録刊行物

• Japanese Journal of Applied Physics

  Japanese Journal of Applied Physics 27 (2), L206-L208, 1988

  公益社団法人 応用物理学会

キーワード

• ionic state
• atomic charge
• YBa<SUB>2</SUB>Cu<SUB>3−<I>x</I></SUB>O<SUB>7−<I>y</I></SUB>
• high-<I>T</I><SUB>c</SUB> superconductor
• charge integration
• radial distribution function
• X-ray diffraction

詳細情報

• CRID: 1573387452913535872
• NII論文ID: 130003468118
• ISSN: 00214922
• Web Site: https://jlc.jst.go.jp/DN/JALC/00337518551?from=CiNii
• 本文言語コード: en
• データソース種別:
  • CiNii Articles